 Entering Gaussian System, Link 0=g16
 Input=19_methylcyclohexanone_Boat_STD_M11-def2SVPDr.in
 Output=19_methylcyclohexanone_Boat_STD_M11-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/19_methylcyclohexanone_Boat_STD/Gau-8436.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/19_methylcyclohexanone_Boat_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      8438.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                23-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=19_methylcyclohexanone_Boat_STD_M11-def2SVPDr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 23 14:28:15 2021, MaxMem= 10737418240 cpu:               2.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "19_methylcyclohexanone_Boat_STD_M11-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.598849000000      0.704366000000     -0.206529000000
  C                                                 1.101228000000     -0.711991000000      0.043642000000
  C                                                -0.113250000000     -0.805140000000      0.936088000000
  C                                                -1.304166000000      0.036131000000      0.404859000000
  O                                                 1.645599000000     -1.677610000000     -0.439886000000
  H                                                 1.880909000000      0.764552000000     -1.260050000000
  H                                                 2.521567000000      0.833636000000      0.367502000000
  H                                                 0.189114000000     -0.415856000000      1.914189000000
  H                                                -0.387393000000     -1.851222000000      1.064625000000
  H                                                -1.882232000000      0.353357000000      1.276987000000
  C                                                -2.214659000000     -0.802663000000     -0.488897000000
  H                                                -1.657245000000     -1.206857000000     -1.337618000000
  H                                                -3.035477000000     -0.200152000000     -0.884181000000
  H                                                -2.645488000000     -1.642727000000      0.058923000000
  C                                                 0.553737000000      1.766949000000      0.148811000000
  C                                                -0.819914000000      1.303231000000     -0.333141000000
  H                                                 0.822669000000      2.721592000000     -0.306662000000
  H                                                 0.531382000000      1.936615000000      1.229376000000
  H                                                -0.749828000000      1.087440000000     -1.405242000000
  H                                                -1.563723000000      2.095209000000     -0.227759000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1          12          12           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           0           0           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Fri Jul 23 14:28:15 2021, MaxMem= 10737418240 cpu:               2.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.598849    0.704366   -0.206529
      2          6           0        1.101228   -0.711991    0.043642
      3          6           0       -0.113250   -0.805140    0.936088
      4          6           0       -1.304166    0.036131    0.404859
      5          8           0        1.645599   -1.677610   -0.439886
      6          1           0        1.880909    0.764552   -1.260050
      7          1           0        2.521567    0.833636    0.367502
      8          1           0        0.189114   -0.415856    1.914189
      9          1           0       -0.387393   -1.851222    1.064625
     10          1           0       -1.882232    0.353357    1.276987
     11          6           0       -2.214659   -0.802663   -0.488897
     12          1           0       -1.657245   -1.206857   -1.337618
     13          1           0       -3.035477   -0.200152   -0.884181
     14          1           0       -2.645488   -1.642727    0.058923
     15          6           0        0.553737    1.766949    0.148811
     16          6           0       -0.819914    1.303231   -0.333141
     17          1           0        0.822669    2.721592   -0.306662
     18          1           0        0.531382    1.936615    1.229376
     19          1           0       -0.749828    1.087440   -1.405242
     20          1           0       -1.563723    2.095209   -0.227759
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.521933   0.000000
     3  C    2.552541   1.509998   0.000000
     4  C    3.041024   2.544815   1.551845   0.000000
     5  O    2.393836   1.209363   2.397511   3.514487   0.000000
     6  H    1.092285   2.118418   3.356132   3.667045   2.586928
     7  H    1.094363   2.123961   3.154542   3.908151   2.779488
     8  H    2.782031   2.102045   1.095284   2.170773   3.042210
     9  H    3.477358   2.134536   1.089020   2.199515   2.535104
    10  H    3.800257   3.399579   2.141874   1.093343   4.417926
    11  C    4.110196   3.359602   2.538997   1.526883   3.958475
    12  H    3.941356   3.124411   2.777595   2.169311   3.454896
    13  H    4.770151   4.270265   3.495540   2.171380   4.928768
    14  H    4.857335   3.860620   2.807704   2.176552   4.320122
    15  C    1.532191   2.540856   2.771339   2.552077   3.661108
    16  C    2.495012   2.809603   2.560380   1.544243   3.869827
    17  H    2.163720   3.462629   3.854635   3.498770   4.477493
    18  H    2.172498   2.957330   2.831747   2.767834   4.134070
    19  H    2.664572   2.960342   3.077161   2.165411   3.783581
    20  H    3.454961   3.880205   3.445350   2.169649   4.957712
                    6          7          8          9         10
     6  H    0.000000
     7  H    1.750469   0.000000
     8  H    3.785674   3.064932   0.000000
     9  H    4.170322   4.019514   1.764765   0.000000
    10  H    4.557068   4.522309   2.299606   2.672042   0.000000
    11  C    4.452473   5.083575   3.420901   2.617596   2.136641
    12  H    4.051050   4.953132   3.822169   2.792580   3.053039
    13  H    5.024220   5.789315   4.274973   3.679161   2.511373
    14  H    5.293671   5.738123   3.603081   2.480705   2.459795
    15  C    2.179696   2.188893   2.830927   3.849104   3.033969
    16  C    2.905818   3.446290   3.003979   3.477269   2.150184
    17  H    2.420501   2.627761   3.895786   4.924968   3.928482
    18  H    3.064669   2.433151   2.473911   3.901154   2.886954
    19  H    2.654452   3.729486   3.762995   3.855819   3.002594
    20  H    3.834288   4.316885   3.737088   4.316054   2.323738
                   11         12         13         14         15
    11  C    0.000000
    12  H    1.092891   0.000000
    13  H    1.092250   1.765951   0.000000
    14  H    1.091525   1.765484   1.767076   0.000000
    15  C    3.830613   3.992673   4.221258   4.676431   0.000000
    16  C    2.530684   2.830307   2.733592   3.487851   1.527818
    17  H    4.656065   4.758735   4.873952   5.586506   1.091386
    18  H    4.242269   4.610961   4.664266   4.926881   1.094032
    19  H    2.560841   2.468153   2.674619   3.631958   2.139181
    20  H    2.981539   3.484849   2.804573   3.901867   2.175591
                   16         17         18         19         20
    16  C    0.000000
    17  H    2.170375   0.000000
    18  H    2.160703   1.749414   0.000000
    19  H    1.095846   2.519936   3.050215   0.000000
    20  H    1.091598   2.468491   2.556924   1.750568   0.000000
 Stoichiometry    C7H12O
 Framework group  C1[X(C7H12O)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.83D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.598849    0.704366   -0.206529
      2          6           0        1.101228   -0.711991    0.043642
      3          6           0       -0.113250   -0.805140    0.936088
      4          6           0       -1.304166    0.036131    0.404859
      5          8           0        1.645599   -1.677610   -0.439886
      6          1           0        1.880909    0.764551   -1.260050
      7          1           0        2.521567    0.833635    0.367502
      8          1           0        0.189114   -0.415856    1.914189
      9          1           0       -0.387393   -1.851222    1.064625
     10          1           0       -1.882232    0.353357    1.276987
     11          6           0       -2.214659   -0.802663   -0.488897
     12          1           0       -1.657245   -1.206857   -1.337618
     13          1           0       -3.035477   -0.200151   -0.884181
     14          1           0       -2.645488   -1.642726    0.058923
     15          6           0        0.553737    1.766949    0.148811
     16          6           0       -0.819914    1.303231   -0.333141
     17          1           0        0.822670    2.721592   -0.306662
     18          1           0        0.531383    1.936615    1.229376
     19          1           0       -0.749828    1.087440   -1.405242
     20          1           0       -1.563722    2.095209   -0.227759
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.6603753           2.0000547           1.3560924
 Leave Link  202 at Fri Jul 23 14:28:15 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       6      7      8      9     10     12     13     14     17     18
 Centers:      19     20
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4     11     15     16
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   275 symmetry adapted cartesian basis functions of A   symmetry.
 There are   259 symmetry adapted basis functions of A   symmetry.
   259 basis functions,   379 primitive gaussians,   275 cartesian basis functions
    31 alpha electrons       31 beta electrons
       nuclear repulsion energy       391.2914351105 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 23 14:28:17 2021, MaxMem= 10737418240 cpu:              13.9 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   259 RedAO= T EigKep=  4.87D-05  NBF=   259
 NBsUse=   259 1.00D-06 EigRej= -1.00D+00 NBFU=   259
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   275   275   275   275   275 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Fri Jul 23 14:28:17 2021, MaxMem= 10737418240 cpu:               6.2 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 23 14:28:18 2021, MaxMem= 10737418240 cpu:               1.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "19_methylcyclohexanone_Boat_STD_M11-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 23 14:28:19 2021, MaxMem= 10737418240 cpu:               5.8 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737259776 LenY= 10737183710
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -348.723301177361    
 DIIS: error= 4.34D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -348.723301177361     IErMin= 1 ErrMin= 4.34D-03
 ErrMax= 4.34D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-02 BMatP= 1.26D-02
 IDIUse=3 WtCom= 9.57D-01 WtEn= 4.34D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.413 Goal=   None    Shift=    0.000
 GapD=    0.413 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=5.03D-03 MaxDP=1.69D-01              OVMax= 1.84D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.02D-03    CP:  9.85D-01
 E= -348.736536794890     Delta-E=       -0.013235617528 Rises=F Damp=F
 DIIS: error= 2.10D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -348.736536794890     IErMin= 2 ErrMin= 2.10D-03
 ErrMax= 2.10D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.67D-04 BMatP= 1.26D-02
 IDIUse=3 WtCom= 9.79D-01 WtEn= 2.10D-02
 Coeff-Com: -0.700D-02 0.101D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.685D-02 0.101D+01
 Gap=     0.403 Goal=   None    Shift=    0.000
 RMSDP=9.72D-04 MaxDP=3.97D-02 DE=-1.32D-02 OVMax= 1.08D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.13D-04    CP:  9.88D-01  1.13D+00
 E= -348.736853271321     Delta-E=       -0.000316476432 Rises=F Damp=F
 DIIS: error= 1.78D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -348.736853271321     IErMin= 3 ErrMin= 1.78D-03
 ErrMax= 1.78D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.44D-04 BMatP= 6.67D-04
 IDIUse=3 WtCom= 1.92D-01 WtEn= 8.08D-01
 Coeff-Com: -0.648D-01 0.545D+00 0.519D+00
 Coeff-En:   0.000D+00 0.293D+00 0.707D+00
 Coeff:     -0.124D-01 0.341D+00 0.671D+00
 Gap=     0.395 Goal=   None    Shift=    0.000
 RMSDP=1.99D-04 MaxDP=8.88D-03 DE=-3.16D-04 OVMax= 7.62D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.68D-04    CP:  9.89D-01  1.15D+00  9.20D-01
 E= -348.737206075730     Delta-E=       -0.000352804408 Rises=F Damp=F
 DIIS: error= 1.09D-03 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -348.737206075730     IErMin= 4 ErrMin= 1.09D-03
 ErrMax= 1.09D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.34D-04 BMatP= 6.67D-04
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.09D-02
 Coeff-Com: -0.165D-01 0.495D-02 0.373D+00 0.639D+00
 Coeff-En:   0.000D+00 0.000D+00 0.243D+00 0.757D+00
 Coeff:     -0.164D-01 0.489D-02 0.371D+00 0.640D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=1.06D-04 MaxDP=4.58D-03 DE=-3.53D-04 OVMax= 3.07D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.35D-05    CP:  9.88D-01  1.15D+00  1.03D+00  8.16D-01
 E= -348.737372515240     Delta-E=       -0.000166439510 Rises=F Damp=F
 DIIS: error= 6.84D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -348.737372515240     IErMin= 5 ErrMin= 6.84D-05
 ErrMax= 6.84D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.64D-06 BMatP= 2.34D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.220D-02-0.529D-01 0.448D-01 0.179D+00 0.827D+00
 Coeff:      0.220D-02-0.529D-01 0.448D-01 0.179D+00 0.827D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=2.33D-05 MaxDP=5.68D-04 DE=-1.66D-04 OVMax= 3.28D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.70D-05    CP:  9.88D-01  1.16D+00  1.05D+00  8.42D-01  1.09D+00
 E= -348.737374456572     Delta-E=       -0.000001941332 Rises=F Damp=F
 DIIS: error= 1.09D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -348.737374456572     IErMin= 6 ErrMin= 1.09D-05
 ErrMax= 1.09D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.06D-08 BMatP= 1.64D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.118D-02-0.110D-01-0.988D-02 0.434D-02 0.171D+00 0.844D+00
 Coeff:      0.118D-02-0.110D-01-0.988D-02 0.434D-02 0.171D+00 0.844D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=6.05D-06 MaxDP=1.42D-04 DE=-1.94D-06 OVMax= 8.76D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.20D-06    CP:  9.88D-01  1.16D+00  1.05D+00  8.43D-01  1.14D+00
                    CP:  1.02D+00
 E= -348.737374543196     Delta-E=       -0.000000086624 Rises=F Damp=F
 DIIS: error= 1.83D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -348.737374543196     IErMin= 7 ErrMin= 1.83D-06
 ErrMax= 1.83D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.72D-09 BMatP= 6.06D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.819D-05 0.237D-02-0.403D-02-0.117D-01-0.387D-01 0.881D-01
 Coeff-Com:  0.964D+00
 Coeff:     -0.819D-05 0.237D-02-0.403D-02-0.117D-01-0.387D-01 0.881D-01
 Coeff:      0.964D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=1.72D-06 MaxDP=4.29D-05 DE=-8.66D-08 OVMax= 2.97D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.00D-06    CP:  9.88D-01  1.16D+00  1.05D+00  8.42D-01  1.15D+00
                    CP:  1.08D+00  1.09D+00
 E= -348.737374550184     Delta-E=       -0.000000006988 Rises=F Damp=F
 DIIS: error= 7.64D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -348.737374550184     IErMin= 8 ErrMin= 7.64D-07
 ErrMax= 7.64D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.56D-10 BMatP= 3.72D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.883D-04 0.145D-02-0.391D-03-0.374D-02-0.236D-01-0.409D-01
 Coeff-Com:  0.244D+00 0.823D+00
 Coeff:     -0.883D-04 0.145D-02-0.391D-03-0.374D-02-0.236D-01-0.409D-01
 Coeff:      0.244D+00 0.823D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=4.77D-07 MaxDP=1.04D-05 DE=-6.99D-09 OVMax= 8.22D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.91D-07    CP:  9.88D-01  1.16D+00  1.05D+00  8.41D-01  1.15D+00
                    CP:  1.10D+00  1.14D+00  1.08D+00
 E= -348.737374550818     Delta-E=       -0.000000000634 Rises=F Damp=F
 DIIS: error= 1.86D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -348.737374550818     IErMin= 9 ErrMin= 1.86D-07
 ErrMax= 1.86D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.23D-11 BMatP= 4.56D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.215D-04 0.156D-03 0.268D-03 0.597D-04-0.206D-02-0.147D-01
 Coeff-Com: -0.271D-01 0.175D+00 0.869D+00
 Coeff:     -0.215D-04 0.156D-03 0.268D-03 0.597D-04-0.206D-02-0.147D-01
 Coeff:     -0.271D-01 0.175D+00 0.869D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=1.18D-07 MaxDP=3.41D-06 DE=-6.34D-10 OVMax= 2.83D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  8.13D-08    CP:  9.88D-01  1.16D+00  1.05D+00  8.41D-01  1.15D+00
                    CP:  1.10D+00  1.14D+00  1.14D+00  1.13D+00
 E= -348.737374550903     Delta-E=       -0.000000000085 Rises=F Damp=F
 DIIS: error= 6.31D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -348.737374550903     IErMin=10 ErrMin= 6.31D-08
 ErrMax= 6.31D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.38D-12 BMatP= 3.23D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.289D-05-0.833D-04 0.723D-04 0.277D-03 0.144D-02 0.111D-02
 Coeff-Com: -0.234D-01-0.386D-01 0.139D+00 0.921D+00
 Coeff:      0.289D-05-0.833D-04 0.723D-04 0.277D-03 0.144D-02 0.111D-02
 Coeff:     -0.234D-01-0.386D-01 0.139D+00 0.921D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=3.98D-08 MaxDP=1.14D-06 DE=-8.52D-11 OVMax= 1.46D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.51D-08    CP:  9.88D-01  1.16D+00  1.05D+00  8.41D-01  1.15D+00
                    CP:  1.10D+00  1.14D+00  1.15D+00  1.19D+00  1.12D+00
 E= -348.737374550917     Delta-E=       -0.000000000014 Rises=F Damp=F
 DIIS: error= 2.31D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -348.737374550917     IErMin=11 ErrMin= 2.31D-08
 ErrMax= 2.31D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.48D-13 BMatP= 2.38D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.197D-05-0.205D-04-0.140D-04 0.234D-04 0.298D-03 0.134D-02
 Coeff-Com: -0.652D-05-0.181D-01-0.566D-01 0.946D-01 0.978D+00
 Coeff:      0.197D-05-0.205D-04-0.140D-04 0.234D-04 0.298D-03 0.134D-02
 Coeff:     -0.652D-05-0.181D-01-0.566D-01 0.946D-01 0.978D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=1.22D-08 MaxDP=2.26D-07 DE=-1.36D-11 OVMax= 8.32D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  7.34D-09    CP:  9.88D-01  1.16D+00  1.05D+00  8.41D-01  1.15D+00
                    CP:  1.10D+00  1.14D+00  1.15D+00  1.21D+00  1.20D+00
                    CP:  1.13D+00
 E= -348.737374550903     Delta-E=        0.000000000014 Rises=F Damp=F
 DIIS: error= 1.10D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -348.737374550917     IErMin=12 ErrMin= 1.10D-08
 ErrMax= 1.10D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.36D-14 BMatP= 2.48D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.606D-06 0.139D-04-0.965D-05-0.431D-04-0.237D-03-0.227D-03
 Coeff-Com:  0.375D-02 0.648D-02-0.212D-01-0.142D+00-0.203D-01 0.117D+01
 Coeff:     -0.606D-06 0.139D-04-0.965D-05-0.431D-04-0.237D-03-0.227D-03
 Coeff:      0.375D-02 0.648D-02-0.212D-01-0.142D+00-0.203D-01 0.117D+01
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=6.40D-09 MaxDP=2.53D-07 DE= 1.41D-11 OVMax= 6.17D-07

 SCF Done:  E(RM11) =  -348.737374551     A.U. after   12 cycles
            NFock= 12  Conv=0.64D-08     -V/T= 2.0123
 KE= 3.444901501246D+02 PE=-1.590909819439D+03 EE= 5.063908596533D+02
 Leave Link  502 at Fri Jul 23 14:29:32 2021, MaxMem= 10737418240 cpu:            1167.7 elap:              73.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   259
 NBasis=   259 NAE=    31 NBE=    31 NFC=     0 NFV=     0
 NROrb=    259 NOA=    31 NOB=    31 NVA=   228 NVB=   228

 **** Warning!!: The largest alpha MO coefficient is  0.36515650D+02

 Leave Link  801 at Fri Jul 23 14:29:33 2021, MaxMem= 10737418240 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6052 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.18D-13 8.33D-09 XBig12= 1.00D+00 1.66D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.18D-13 8.33D-09 XBig12= 1.04D-01 6.42D-02.
     11 vectors produced by pass  2 Test12= 1.18D-13 8.33D-09 XBig12= 1.42D-02 1.76D-02.
     11 vectors produced by pass  3 Test12= 1.18D-13 8.33D-09 XBig12= 1.32D-03 5.40D-03.
     11 vectors produced by pass  4 Test12= 1.18D-13 8.33D-09 XBig12= 4.99D-05 1.09D-03.
     11 vectors produced by pass  5 Test12= 1.18D-13 8.33D-09 XBig12= 1.14D-06 2.27D-04.
     11 vectors produced by pass  6 Test12= 1.18D-13 8.33D-09 XBig12= 3.49D-08 3.63D-05.
     11 vectors produced by pass  7 Test12= 1.18D-13 8.33D-09 XBig12= 1.03D-09 4.73D-06.
     11 vectors produced by pass  8 Test12= 1.18D-13 8.33D-09 XBig12= 2.15D-11 7.35D-07.
     11 vectors produced by pass  9 Test12= 1.18D-13 8.33D-09 XBig12= 3.90D-13 1.09D-07.
      4 vectors produced by pass 10 Test12= 1.18D-13 8.33D-09 XBig12= 6.14D-15 1.36D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.49D-14
 Solved reduced A of dimension   114 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.906392D+02
      2  0.779136D-01  0.896384D+02
      3 -0.184056D+01  0.828396D+00  0.750820D+02
 Isotropic polarizability for W=    0.093368       85.12 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.433660D+02 -0.202050D+02 -0.184127D+02
      2   0.257886D+02  0.263734D+02  0.171101D+01
      3   0.175775D+02 -0.616834D+01  0.167017D+02
      4   0.632635D+01 -0.611281D+01  0.135996D+02
      5  -0.162496D+02  0.997396D+01 -0.247840D+02
      6   0.962562D+01 -0.472397D+01  0.164014D+02
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.329705D+01  0.277767D+01 -0.821372D+01
      2  -0.130501D+02  0.517040D+01 -0.140857D+02
      3   0.157775D+02  0.934419D+01  0.532492D+00
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.362565D+01 -0.643498D+01 -0.225697D+02
      2  -0.216304D+01  0.397399D+01 -0.423614D+02
      3   0.265314D+02  0.319014D+02 -0.348341D+00
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1   0.194504D+01  0.149335D+01 -0.139574D+01
      2   0.149335D+01 -0.388782D+00 -0.122135D+00
      3  -0.139574D+01 -0.122135D+00  0.849591D+00
 OR G Eigenvalues:    -1.2669     0.3046     3.3682  Iso=    -0.8019
 Eigenvectors:
   (1)  -0.503098   0.815994  -0.284686
   (2)   0.285643   0.467899   0.836348
   (3)   0.815660   0.339447  -0.468482
 w=    0.093368 a.u., Optical Rotation Beta=     -0.8019 au.
 Molar Mass =    112.1712 grams/mole, [Alpha] ( 4880.0 A) =     -402.97 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   33670 ScalPx= 2.21D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   33670 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 8.71D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.96D-14 2.78D-09 XBig12= 1.00D+00 3.22D-01.
     30 vectors produced by pass  1 Test12= 1.96D-14 2.78D-09 XBig12= 4.47D-02 3.21D-02.
     30 vectors produced by pass  2 Test12= 1.96D-14 2.78D-09 XBig12= 2.00D-03 5.25D-03.
     30 vectors produced by pass  3 Test12= 1.96D-14 2.78D-09 XBig12= 2.36D-05 6.29D-04.
     30 vectors produced by pass  4 Test12= 1.96D-14 2.78D-09 XBig12= 4.80D-07 6.22D-05.
     30 vectors produced by pass  5 Test12= 1.96D-14 2.78D-09 XBig12= 5.45D-09 6.40D-06.
     30 vectors produced by pass  6 Test12= 1.96D-14 2.78D-09 XBig12= 4.28D-11 6.71D-07.
     30 vectors produced by pass  7 Test12= 1.96D-14 2.78D-09 XBig12= 3.03D-13 5.96D-08.
      4 vectors produced by pass  8 Test12= 1.96D-14 2.78D-09 XBig12= 3.26D-15 5.26D-09.
      3 vectors produced by pass  9 Test12= 1.96D-14 2.78D-09 XBig12= 2.53D-15 6.15D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   247 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   33670 ScalPx= 9.87D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   33670 ScalPx= 9.87D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   33670 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.69D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.906392D+02  0.779136D-01 -0.184056D+01
      2   0.779136D-01  0.896384D+02  0.828396D+00
      3  -0.184056D+01  0.828396D+00  0.750820D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.329705D+01  0.277767D+01 -0.821372D+01
      2  -0.130501D+02  0.517040D+01 -0.140857D+02
      3   0.157775D+02  0.934419D+01  0.532492D+00
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.433660D+02 -0.202050D+02 -0.184127D+02
      2   0.257886D+02  0.263734D+02  0.171101D+01
      3   0.175775D+02 -0.616834D+01  0.167017D+02
      4   0.632635D+01 -0.611281D+01  0.135996D+02
      5  -0.162496D+02  0.997396D+01 -0.247840D+02
      6   0.962562D+01 -0.472397D+01  0.164014D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.486235D+01 -0.234151D+01 -0.179844D+01 -0.111582D+01  0.254047D+01
      2  -0.234151D+01 -0.141009D-01 -0.395042D+00  0.254047D+01  0.238061D+01
      3  -0.179844D+01 -0.395042D+00 -0.261881D+01 -0.453192D+00 -0.167059D+01
                 6             7             8             9            10 
      1  -0.453192D+00 -0.251851D+01 -0.511536D+00 -0.342311D+01  0.861339D-01
      2  -0.167059D+01 -0.511536D+00 -0.106912D+01 -0.756861D+00  0.282691D+01
      3  -0.147177D+00 -0.342311D+01 -0.756861D+00  0.478334D+01  0.144827D+00
                11            12            13            14            15 
      1   0.282691D+01  0.144827D+00  0.160516D+01 -0.414069D+01 -0.653026D+00
      2  -0.356390D+01 -0.120400D+01 -0.414069D+01  0.173019D+00  0.311658D+01
      3  -0.120400D+01  0.104050D+01 -0.653026D+00  0.311658D+01  0.931329D+00
                16            17            18            19            20 
      1   0.116021D+01 -0.174477D+01  0.611256D+00  0.221271D+01 -0.276162D+01
      2  -0.174477D+01  0.279259D+01  0.155658D+01 -0.276162D+01  0.330248D+01
      3   0.611256D+00  0.155658D+01 -0.245034D+00  0.159853D+01 -0.879602D+00
                21            22            23            24            25 
      1   0.159853D+01 -0.319851D+01  0.310838D+01 -0.122614D+01  0.987879D+00
      2  -0.879602D+00  0.310838D+01  0.537248D+01 -0.192264D+01 -0.839121D+00
      3  -0.206367D+01 -0.122614D+01 -0.192264D+01 -0.184404D+01 -0.133997D+01
                26            27            28            29            30 
      1  -0.839121D+00 -0.133997D+01 -0.206415D+01  0.254606D+01 -0.144109D+01
      2  -0.118628D+01 -0.187448D+01  0.254606D+01 -0.184569D+01  0.296844D+01
      3  -0.187448D+01 -0.371692D+01 -0.144109D+01  0.296844D+01  0.272435D+01
                31            32            33            34            35 
      1   0.378105D+01 -0.217742D+01  0.292009D+01 -0.175396D+01  0.379375D+01
      2  -0.217742D+01 -0.266853D+01  0.102931D+01  0.379375D+01  0.177390D+01
      3   0.292009D+01  0.102931D+01 -0.721626D+00  0.294202D+01 -0.106617D+01
                36            37            38            39            40 
      1   0.294202D+01  0.519711D+01 -0.437893D+01 -0.159268D+01 -0.395587D+01
      2  -0.106617D+01 -0.437893D+01  0.367217D+01  0.802874D+00  0.503579D+01
      3  -0.385474D+01 -0.159268D+01  0.802874D+00  0.730811D+00  0.102542D+01
                41            42            43            44            45 
      1   0.503579D+01  0.102542D+01 -0.218187D+01  0.154452D+01  0.193924D+01
      2  -0.101814D+02 -0.298825D+01  0.154452D+01 -0.302862D+01 -0.370860D+01
      3  -0.298825D+01 -0.203095D+01  0.193924D+01 -0.370860D+01 -0.273525D+01
                46            47            48            49            50 
      1   0.214014D+01  0.701784D+00 -0.152026D+01  0.288644D+00  0.254871D+00
      2   0.701784D+00  0.506683D+00 -0.244456D+00  0.254871D+00  0.730303D-01
      3  -0.152026D+01 -0.244456D+00  0.149173D+01  0.478333D-01 -0.963434D+00
                51            52            53            54            55 
      1   0.478333D-01 -0.242510D+01 -0.222136D+00  0.293413D+01  0.874190D+01
      2  -0.963434D+00 -0.222136D+00 -0.167047D+01  0.103231D+01  0.190351D+01
      3   0.379149D+00  0.293413D+01  0.103231D+01 -0.695969D+01  0.233032D+01
                56            57            58            59            60 
      1   0.190351D+01  0.233032D+01  0.799399D+00  0.103534D+01  0.269175D+00
      2   0.174118D+01  0.375748D+00  0.103534D+01  0.795575D+00  0.839943D+00
      3   0.375748D+00  0.175992D+01  0.269175D+00  0.839943D+00  0.329097D+00
                61            62            63            64            65 
      1   0.371605D+01  0.619092D+00  0.246051D+01  0.689372D+00  0.682605D+00
      2   0.619092D+00  0.144101D+01  0.798668D+00  0.682605D+00 -0.612287D-01
      3   0.246051D+01  0.798668D+00  0.148003D+01  0.112231D+01  0.197246D+00
                66            67            68            69            70 
      1   0.112231D+01  0.154632D+01 -0.203020D+00  0.149949D+00  0.147283D+01
      2   0.197246D+00 -0.203020D+00  0.742975D+00  0.135773D+01  0.224541D+00
      3   0.190612D+01  0.149949D+00  0.135773D+01  0.174793D+01  0.117051D+01
                71            72            73            74            75 
      1   0.224541D+00  0.117051D+01 -0.119986D+01 -0.119535D+01  0.848849D-01
      2   0.123478D+01  0.877402D+00 -0.119535D+01 -0.137272D+01  0.491382D+00
      3   0.877402D+00  0.821262D+01  0.848849D-01  0.491382D+00 -0.258649D+00
                76            77            78            79            80 
      1  -0.162627D+01 -0.147294D+01  0.394023D+00 -0.901713D-01  0.302338D+00
      2  -0.147294D+01 -0.811860D+01  0.225477D+01  0.302338D+00  0.895981D+00
      3   0.394023D+00  0.225477D+01 -0.158036D+01 -0.157326D+00 -0.124097D+01
                81            82            83            84            85 
      1  -0.157326D+00 -0.363142D+01  0.405349D+00  0.259081D+01  0.653011D+00
      2  -0.124097D+01  0.405349D+00 -0.781421D+00 -0.987823D+00 -0.815118D+00
      3   0.138274D+01  0.259081D+01 -0.987823D+00 -0.289278D+01 -0.107017D+01
                86            87            88            89            90 
      1  -0.815118D+00 -0.107017D+01  0.302595D+01 -0.100677D+01 -0.306178D+01
      2   0.150835D+01  0.126364D+01 -0.100677D+01  0.118098D+01  0.122135D+01
      3   0.126364D+01  0.152717D+01 -0.306178D+01  0.122135D+01  0.595534D+01
                91            92            93            94            95 
      1   0.304765D+01 -0.187067D+01  0.126589D+01 -0.300085D+01  0.262142D+01
      2  -0.187067D+01  0.189690D+01 -0.374329D+01  0.262142D+01  0.280346D+01
      3   0.126589D+01 -0.374329D+01 -0.137429D+01 -0.440386D+01 -0.128093D+01
                96            97            98            99           100 
      1  -0.440386D+01  0.639891D+00 -0.449001D+01 -0.111201D+01  0.172915D+01
      2  -0.128093D+01 -0.449001D+01 -0.194436D+01  0.164318D+01 -0.215685D+00
      3   0.109240D+01 -0.111201D+01  0.164318D+01  0.255502D+01 -0.108170D+01
               101           102           103           104           105 
      1  -0.215685D+00 -0.108170D+01 -0.359637D+00  0.274660D-01  0.595928D+00
      2   0.959674D+00  0.108096D+01  0.274660D-01 -0.202216D+01 -0.138300D+01
      3   0.108096D+01  0.204622D+01  0.595928D+00 -0.138300D+01 -0.169915D+01
               106           107           108           109           110 
      1  -0.148965D+01  0.492527D+00  0.640506D+00 -0.743491D+01  0.167147D+01
      2   0.492527D+00 -0.160243D+01 -0.201035D+01  0.167147D+01 -0.170877D+01
      3   0.640506D+00 -0.201035D+01 -0.509490D+01 -0.246914D+01  0.926031D+00
               111           112           113           114           115 
      1  -0.246914D+01  0.365774D+01 -0.189534D+01  0.159400D+01 -0.234094D+01
      2   0.926031D+00 -0.189534D+01  0.179903D+01 -0.664309D+00  0.975291D+00
      3  -0.155053D+01  0.159400D+01 -0.664309D+00  0.111966D+01 -0.196823D+01
               116           117           118           119           120 
      1   0.975291D+00 -0.196823D+01 -0.332968D+01 -0.215344D+01  0.699664D+00
      2  -0.465009D+00  0.506566D+00 -0.215344D+01 -0.236044D+01  0.966316D+00
      3   0.506566D+00 -0.196028D+01  0.699664D+00  0.966316D+00 -0.627575D+00
               121           122           123           124           125 
      1  -0.264620D+01 -0.334792D+01  0.107908D+01  0.183800D+01  0.169971D+01
      2  -0.334792D+01 -0.596641D+01  0.151097D+01  0.169971D+01  0.249611D+01
      3   0.107908D+01  0.151097D+01 -0.152550D+01 -0.867089D+00 -0.166519D+01
               126           127           128           129           130 
      1  -0.867089D+00  0.227893D+01  0.219128D+01  0.165122D+01  0.235929D+01
      2  -0.166519D+01  0.219128D+01 -0.278250D+01  0.660496D+00 -0.324213D+01
      3   0.159616D+01  0.165122D+01  0.660496D+00  0.635739D-01  0.769822D+00
               131           132           133           134           135 
      1  -0.324213D+01  0.769822D+00  0.175893D+01  0.874481D+00  0.534371D-01
      2  -0.477540D+01  0.219608D+01  0.874481D+00  0.330126D+01 -0.264933D+01
      3   0.219608D+01 -0.165690D+01  0.534371D-01 -0.264933D+01 -0.636050D+01
               136           137           138           139           140 
      1   0.144745D+00 -0.376231D+01 -0.785029D+00 -0.375883D+01  0.406299D+01
      2  -0.376231D+01  0.398585D+01 -0.106344D+01  0.406299D+01  0.566408D+00
      3  -0.785029D+00 -0.106344D+01 -0.240320D+00 -0.981025D+00 -0.119991D+01
               141           142           143           144           145 
      1  -0.981025D+00 -0.123765D+01 -0.817552D+00 -0.210585D+00  0.119867D+01
      2  -0.119991D+01 -0.817552D+00 -0.241326D+01  0.146271D+01  0.170292D+01
      3   0.173619D+01 -0.210585D+00  0.146271D+01  0.629179D+01 -0.754682D+00
               146           147           148           149           150 
      1   0.170292D+01 -0.754682D+00  0.166893D+01  0.240406D+01 -0.415120D+00
      2   0.219934D+01 -0.408735D+00  0.240406D+01  0.103587D+02 -0.191385D+01
      3  -0.408735D+00  0.256571D+00 -0.415120D+00 -0.191385D+01  0.138187D+01
               151           152           153           154           155 
      1  -0.109903D+01 -0.731124D+00  0.511267D+00 -0.261509D+00  0.145042D+00
      2  -0.731124D+00 -0.319481D+01  0.213015D+01  0.145042D+00  0.266205D+00
      3   0.511267D+00  0.213015D+01 -0.679987D+00  0.931442D+00 -0.108404D+00
               156           157           158           159           160 
      1   0.931442D+00  0.293315D-01  0.432286D+00  0.140432D-01  0.153155D+01
      2  -0.108404D+00  0.432286D+00  0.186892D+01  0.140281D+01  0.101748D+00
      3  -0.688343D-01  0.140432D-01  0.140281D+01  0.131612D+01  0.405241D+00
               161           162           163           164           165 
      1   0.101748D+00  0.405241D+00  0.339650D+00  0.399696D+00 -0.882881D+00
      2   0.206721D+01  0.267547D+01  0.399696D+00 -0.257685D+00  0.129742D+00
      3   0.267547D+01  0.768826D+01 -0.882881D+00  0.129742D+00  0.347815D+00
               166           167           168           169           170 
      1  -0.163312D+00 -0.595714D+00  0.258243D-01 -0.158837D+01 -0.260833D+00
      2  -0.595714D+00 -0.526579D+00 -0.887414D+00 -0.260833D+00 -0.127639D+01
      3   0.258243D-01 -0.887414D+00 -0.932263D+00 -0.663939D+00  0.227573D+00
               171           172           173           174           175 
      1  -0.663939D+00 -0.502227D+01  0.350291D+01 -0.940011D-01  0.343641D+01
      2   0.227573D+00  0.350291D+01 -0.378202D+01  0.435558D+00 -0.363278D+01
      3  -0.785071D+01 -0.940011D-01  0.435558D+00 -0.672149D+00  0.317338D+00
               176           177           178           179           180 
      1  -0.363278D+01  0.317338D+00  0.593991D+00 -0.414491D-02 -0.864070D+00
      2   0.581656D+01 -0.975017D-01 -0.414491D-02  0.666917D+00  0.839997D+00
      3  -0.975017D-01  0.577044D+00 -0.864070D+00  0.839997D+00 -0.487288D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.117383D+01  0.554213D+00  0.106585D+01 -0.969427D+00 -0.829501D+00
      2  -0.513762D+01 -0.138235D+01 -0.640272D+01  0.119415D+01 -0.178350D+01
      3   0.486966D+01 -0.884196D+01 -0.332562D+01 -0.349478D+01 -0.286771D+01
                 6             7             8             9            10 
      1  -0.425222D+01  0.131179D+01  0.512358D+01 -0.327305D+01  0.526794D+01
      2   0.207538D+01 -0.120649D+02 -0.336740D+01  0.842654D+01 -0.160786D+02
      3   0.481394D+01 -0.419526D+01  0.188032D+01 -0.521652D+00 -0.557586D+01
                11            12            13            14            15 
      1   0.461234D+01 -0.268303D+01  0.471951D+01 -0.184998D+01  0.745242D+01
      2  -0.832376D+01  0.333042D+01 -0.541557D+01  0.737371D+01 -0.322813D+01
      3  -0.759289D+01  0.277488D+01  0.361591D+00  0.220662D+01 -0.891338D+01
                16            17            18            19            20 
      1   0.561208D+00  0.142051D+02  0.471811D+00 -0.367987D+01  0.149819D+01
      2  -0.130264D+02 -0.541320D+01  0.113130D+02 -0.440812D+01  0.716115D+01
      3  -0.272519D+01 -0.910023D+01  0.122452D+01  0.152136D+01  0.114497D+01
                21            22            23            24            25 
      1  -0.467093D+01  0.220978D+01  0.518008D+01 -0.834575D+01 -0.403418D+01
      2   0.367136D+01  0.791305D+01 -0.541452D+01  0.482604D+01 -0.951496D+01
      3  -0.209466D+01  0.714296D+01 -0.626338D+01  0.289899D+01 -0.324907D+01
                26            27            28            29            30 
      1  -0.300387D+01 -0.649227D+01  0.261691D+01 -0.898589D+00  0.940719D-01
      2   0.619621D+01 -0.367938D-01  0.833190D+01 -0.819528D+01  0.157596D+01
      3   0.372049D+01  0.134678D+01  0.456087D+01 -0.743559D+01  0.720100D+01
                31            32            33            34            35 
      1  -0.142609D+01  0.761063D+00 -0.159383D+01  0.112328D+01  0.618094D+01
      2  -0.126985D+02 -0.127479D+01  0.178225D+01 -0.114852D+01 -0.142337D+01
      3  -0.118169D+00 -0.448944D+01  0.231167D+01  0.978097D+01  0.193965D+01
                36            37            38            39            40 
      1   0.904976D+00 -0.383872D+01 -0.201475D+01  0.455444D+01  0.814916D+00
      2   0.265471D+01  0.195600D+01  0.454548D+01  0.445383D+01  0.351835D+01
      3  -0.312473D+01 -0.386677D+00 -0.241344D+01 -0.403896D+00  0.690921D+01
                41            42            43            44            45 
      1   0.378652D+00 -0.101996D+02  0.114147D+01 -0.268126D+01 -0.404595D+01
      2  -0.749026D+01 -0.406671D+01  0.404489D+01 -0.126097D+01 -0.863510D+01
      3   0.118223D+02  0.341682D+01  0.492643D+01  0.542988D+01  0.207431D+01
                46            47            48            49            50 
      1   0.138719D+01  0.276755D+00 -0.125298D+01  0.371496D+00 -0.734350D+00
      2  -0.276400D+01 -0.945916D+00  0.419223D+01 -0.875728D-01 -0.508139D+00
      3   0.189319D-01 -0.129185D+01 -0.656964D+00  0.142766D+01  0.134798D+01
                51            52            53            54            55 
      1  -0.739351D+00 -0.285793D+01  0.154779D+01  0.582194D+01 -0.330218D+01
      2   0.206253D+00  0.443310D+01  0.339056D+01 -0.154787D+02  0.958141D+01
      3   0.129080D+01 -0.659685D+00  0.429907D+01 -0.258007D+00  0.591578D+01
                56            57            58            59            60 
      1  -0.883961D+00 -0.152867D+01  0.219931D+00  0.895112D+00 -0.936737D+00
      2   0.250569D+01  0.609230D+01  0.310276D+00  0.598097D+00  0.365491D+00
      3  -0.294555D+01  0.141941D+01  0.183550D+00 -0.127907D+01 -0.190039D+01
                61            62            63            64            65 
      1  -0.268536D+01 -0.187938D+00 -0.128668D+01  0.132125D+01  0.133130D+01
      2   0.628592D+01  0.314920D+01  0.421248D+01  0.266156D+00 -0.157690D+01
      3   0.333559D+01 -0.287454D+01  0.963226D+00 -0.422586D-01 -0.238510D+01
                66            67            68            69            70 
      1   0.336749D+01 -0.333907D+00  0.360994D+01  0.348616D+01  0.206313D+01
      2  -0.306630D+01 -0.151642D+01 -0.353286D+00 -0.132202D+01 -0.351922D+01
      3  -0.181561D+01 -0.927867D-01  0.708394D-01 -0.726897D+00 -0.994347D+00
                71            72            73            74            75 
      1   0.506280D+01  0.944988D+01 -0.142851D+01 -0.195939D+01 -0.112822D+00
      2  -0.651393D+00 -0.418152D+01  0.943318D+00  0.139948D+01  0.128192D+01
      3  -0.672363D+00 -0.241779D+01  0.136403D+01 -0.132252D+00  0.826698D+00
                76            77            78            79            80 
      1  -0.163175D+01 -0.802199D+01 -0.130625D+01  0.725245D+00  0.104378D+01
      2   0.281206D+01  0.143205D+01 -0.134060D+00 -0.113391D+01 -0.138073D+00
      3   0.511323D+01  0.591254D+00 -0.212585D+00  0.425285D+00  0.248839D+00
                81            82            83            84            85 
      1  -0.252915D+00  0.485836D-01 -0.138260D+01 -0.679962D-01 -0.276210D+00
      2   0.507955D-02 -0.396515D+00  0.122210D+01  0.334562D+01  0.318822D+00
      3   0.130583D+00  0.202066D+00 -0.284867D+01 -0.185075D+01 -0.127410D+00
                86            87            88            89            90 
      1   0.107013D+01 -0.649151D+00  0.258324D+00  0.236887D+01 -0.468152D+00
      2  -0.340407D+00 -0.836496D+00 -0.214011D+01 -0.320582D+00 -0.598345D+01
      3   0.340631D+01  0.213564D+01 -0.218419D+01  0.310906D+01  0.237236D+01
                91            92            93            94            95 
      1   0.193035D+01 -0.595468D+01  0.169571D+01 -0.821799D+01 -0.421567D+01
      2  -0.177036D+01  0.109322D+02  0.766517D+01  0.123120D+02  0.481344D+01
      3  -0.927501D+01  0.383277D+01 -0.124446D+02  0.125485D+02  0.493706D+01
                96            97            98            99           100 
      1  -0.169753D+00  0.305187D+01  0.479988D+01  0.171049D+01 -0.807357D+00
      2  -0.612762D+01  0.353989D+00 -0.698270D+01 -0.787466D+01  0.580719D+01
      3   0.129342D+01 -0.132037D+02 -0.571287D+00  0.485483D+01 -0.350136D+01
               101           102           103           104           105 
      1  -0.457769D+00  0.178800D+01  0.550884D+00  0.525015D+00 -0.206004D+01
      2  -0.293987D+01 -0.526898D+01 -0.277130D+01  0.370769D+01  0.479492D+01
      3   0.181543D+01  0.385733D+01  0.214601D+01 -0.465917D+01 -0.423616D+01
               106           107           108           109           110 
      1   0.650856D+00  0.108620D+01 -0.439292D+01 -0.357666D+01  0.283437D+01
      2  -0.560538D+01  0.540349D+01  0.132255D+02  0.197076D+01 -0.138553D+01
      3   0.381262D+01 -0.422484D+01 -0.619929D+01  0.965983D+01 -0.825493D+01
               111           112           113           114           115 
      1  -0.152046D+01  0.236640D+01 -0.237150D+01  0.285903D+00 -0.238289D+01
      2   0.487088D+01 -0.225173D+01  0.844993D+00 -0.288227D+01  0.178420D+01
      3   0.468226D+01 -0.614599D+01  0.752188D+01 -0.270144D+01  0.459662D+01
               116           117           118           119           120 
      1   0.206369D+01 -0.164834D+01  0.179691D+01  0.240808D+01 -0.197198D+01
      2  -0.752659D+00  0.492116D+01 -0.237414D+01 -0.351038D+01  0.297664D+01
      3  -0.284381D+01  0.274021D+01 -0.183450D+01 -0.558084D+01  0.206425D+01
               121           122           123           124           125 
      1   0.297992D+01  0.455296D+01 -0.490950D+01 -0.152066D+01 -0.195777D+01
      2  -0.344917D+01 -0.503499D+01  0.538612D+01  0.120985D+01  0.457076D+01
      3  -0.355357D+01 -0.129932D+02  0.308365D+01  0.181104D+01  0.531753D+01
               126           127           128           129           130 
      1   0.336951D+01 -0.250549D+01 -0.323746D+01 -0.147887D+00 -0.282494D+01
      2  -0.482032D+01  0.134836D+01  0.281686D+01  0.233235D+01  0.891156D+00
      3  -0.362139D+01  0.461923D+01  0.660851D+01  0.324539D+01  0.126842D+02
               131           132           133           134           135 
      1  -0.795611D+01  0.220087D+01  0.108376D+01  0.107315D+02  0.135184D+02
      2   0.231566D+01 -0.625198D+00 -0.424339D+01 -0.182912D+01 -0.388364D+01
      3  -0.495410D+01 -0.448532D+00  0.318779D+01 -0.123568D+01  0.100361D+01
               136           137           138           139           140 
      1   0.375083D+01 -0.105414D-01  0.107148D+01 -0.867865D+00  0.443915D+01
      2   0.194423D+01 -0.198258D+01  0.225604D+01 -0.149046D+01  0.398836D+01
      3  -0.816873D+01 -0.660645D+01 -0.357026D+01  0.252680D+00  0.877157D+01
               141           142           143           144           145 
      1  -0.531969D+01  0.566265D+00  0.155741D+01 -0.112113D+02  0.196031D+01
      2  -0.226071D+01 -0.328855D+01 -0.272787D+01 -0.515442D+01 -0.307897D+00
      3  -0.238202D+01 -0.359487D+01 -0.387739D+01  0.181207D+01  0.188628D+01
               146           147           148           149           150 
      1   0.175738D+01 -0.127390D+01  0.146906D+01  0.621453D+01 -0.591210D+01
      2  -0.107638D+01  0.111801D+01 -0.588004D-01 -0.213700D+01  0.150208D+01
      3   0.305400D+00 -0.141647D+01  0.489866D+01 -0.248730D+01  0.342627D+00
               151           152           153           154           155 
      1  -0.115264D+01 -0.432764D+01  0.216139D+01 -0.206962D+01  0.191269D+00
      2  -0.903404D+00  0.152878D+01 -0.451984D+00  0.603746D+00 -0.146535D+00
      3  -0.322639D+01  0.996584D+00 -0.243507D+00 -0.111347D+01 -0.129041D+01
               156           157           158           159           160 
      1   0.458872D+00  0.191897D+00 -0.193534D+01 -0.304153D+01 -0.508701D+00
      2   0.681103D+00 -0.436934D+00  0.703069D+00  0.881490D+00 -0.290761D+01
      3   0.207228D+01  0.236984D+00  0.506343D-01 -0.835345D+00  0.405989D+01
               161           162           163           164           165 
      1  -0.172528D+01 -0.166767D+02  0.150149D+01  0.215985D-01 -0.757010D+00
      2   0.152649D+01  0.513438D+01  0.138523D+01  0.130460D-01 -0.294951D-01
      3  -0.110508D+01 -0.655303D+00  0.104501D+01 -0.352889D+00 -0.145406D+01
               166           167           168           169           170 
      1   0.718262D+00  0.226331D+01  0.111743D+01  0.104681D+01  0.357873D+01
      2  -0.777973D+00  0.512942D-01  0.110879D+01 -0.385400D+01 -0.261337D+00
      3   0.363331D+00 -0.174036D+01 -0.729498D+00 -0.295812D+01 -0.146033D+01
               171           172           173           174           175 
      1   0.121157D+02 -0.154717D+01  0.131425D+01  0.189175D+01  0.857938D+00
      2   0.737902D+01 -0.182287D+01  0.128062D+01  0.247971D+01  0.168460D+01
      3  -0.747195D+00 -0.580475D+01 -0.565253D+00  0.477783D+00  0.458907D+01
               176           177           178           179           180 
      1  -0.238663D+01 -0.266337D+01  0.159791D+01 -0.635493D+00  0.635797D+00
      2  -0.149146D+01 -0.144561D+01 -0.865651D-01 -0.675233D+00  0.149827D+00
      3   0.104572D+01  0.577488D+00  0.105456D+01  0.102414D+01 -0.733621D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.216139D+02 -0.134485D+02 -0.977133D+01 -0.264645D+01  0.238179D+01
      2   0.134651D+02  0.129150D+02  0.251281D+01  0.499347D+01  0.511153D+01
      3   0.814877D+01  0.533444D+00  0.725852D+01 -0.234702D+01 -0.749332D+01
      4  -0.134305D+02 -0.705757D+01 -0.583316D+01  0.394378D+01  0.754811D+01
      5  -0.114789D+02 -0.245434D+01 -0.121361D+02 -0.358422D+00 -0.272974D+01
      6  -0.324856D+01  0.136362D+00 -0.179655D+01 -0.234960D+00 -0.136966D+01
                 6             7             8             9            10 
      1  -0.135128D+01 -0.131770D+02 -0.360556D+01 -0.101981D+02 -0.392426D+00
      2   0.128235D+00  0.275437D+01 -0.277676D+01  0.161233D+02 -0.754299D+01
      3   0.122305D+01  0.104226D+02  0.638232D+01 -0.592525D+01  0.793542D+01
      4  -0.451229D+01 -0.882992D+01 -0.344019D+01 -0.831459D+01  0.126790D+02
      5  -0.349043D+00 -0.161669D+02 -0.491517D+01  0.162850D+02  0.580273D+01
      6   0.144863D+01 -0.541314D+01 -0.843531D+00  0.994914D+01 -0.108670D+01
                11            12            13            14            15 
      1  -0.166683D+01 -0.368420D+01 -0.511315D+00 -0.483402D+00  0.169421D+01
      2   0.914200D+01 -0.797898D+00  0.528053D+01 -0.135879D+02 -0.365927D+01
      3  -0.747516D+01  0.448209D+01 -0.476922D+01  0.140713D+02  0.196506D+01
      4  -0.159465D+02 -0.200248D+01 -0.245579D+02  0.190879D+02  0.891194D+01
      5  -0.143290D+01 -0.495293D+00 -0.513224D+01  0.515613D+01  0.405805D+01
      6   0.588007D+01  0.101791D+01  0.229813D+01 -0.117827D+02 -0.102547D+02
                16            17            18            19            20 
      1   0.510122D+01  0.121124D+00  0.379646D+01 -0.538676D+01  0.635893D+01
      2   0.154202D-01 -0.859987D+01 -0.852454D+01  0.262745D+01 -0.519290D+01
      3  -0.511664D+01  0.847874D+01  0.472808D+01  0.275931D+01 -0.116603D+01
      4  -0.934971D+01  0.158283D+02  0.565756D+01 -0.621296D+01  0.557712D+01
      5   0.357763D+01  0.158968D+01  0.755477D+01 -0.508322D+01  0.160987D+01
      6   0.604523D+00 -0.374735D+01 -0.457234D+01 -0.354160D+01  0.291152D+01
                21            22            23            24            25 
      1   0.481747D+01  0.945424D+01  0.122410D+02  0.514177D+01 -0.297200D-01
      2   0.605600D+01 -0.797314D+01 -0.170496D+02  0.912787D+01  0.376811D+01
      3  -0.108735D+02 -0.148110D+01  0.480851D+01 -0.142696D+02 -0.373839D+01
      4   0.376829D+00  0.526605D+01 -0.657667D+01  0.825092D+00  0.182854D+01
      5   0.284887D+01  0.296299D+01  0.273253D+01 -0.282818D+01  0.190736D+01
      6   0.906615D+00  0.371000D+01  0.120320D+02  0.300172D+00 -0.374476D+00
                26            27            28            29            30 
      1   0.493564D+01  0.112761D+02 -0.885677D-01 -0.598614D+01  0.439757D+01
      2   0.621984D+01  0.976215D+01  0.252175D+01 -0.138284D+00 -0.503666D+01
      3  -0.111555D+02 -0.210383D+02 -0.243318D+01  0.612443D+01  0.639088D+00
      4  -0.748736D+00 -0.302097D+01 -0.645019D+00 -0.187080D+01 -0.892446D+01
      5  -0.237633D+01 -0.859970D+01  0.802727D+01 -0.102845D+02 -0.152556D+02
      6   0.247356D+01  0.147686D+01 -0.377503D+01 -0.310540D+01  0.166444D+01
                31            32            33            34            35 
      1  -0.836885D+01  0.399367D+01 -0.118045D+02  0.698871D+00 -0.119684D+02
      2   0.164143D+01 -0.180884D+01  0.592288D+01 -0.522516D+01  0.695569D+01
      3   0.672742D+01 -0.218483D+01  0.588158D+01  0.452629D+01  0.501268D+01
      4  -0.575261D+01  0.584754D+01 -0.169527D+01 -0.922420D+01 -0.507388D+01
      5  -0.150634D+02 -0.256946D+01  0.571729D+01 -0.144003D+02  0.504825D+01
      6  -0.207743D+01 -0.156746D+01 -0.435408D+01  0.155689D+01 -0.268263D+01
                36            37            38            39            40 
      1  -0.108452D+02  0.207718D+02 -0.734635D+01 -0.278978D+01 -0.452048D+01
      2   0.803459D+01 -0.837826D+00 -0.658885D+01  0.176640D+01 -0.101903D+02
      3   0.281057D+01 -0.199340D+02  0.139352D+02  0.102338D+01  0.147108D+02
      4   0.392481D+01 -0.296762D+02  0.305149D+02  0.622395D+01  0.345670D+02
      5   0.192782D+02 -0.615453D+01  0.361765D+01  0.926021D+01  0.513421D+01
      6  -0.630663D+01  0.554886D+01 -0.397938D+01 -0.588688D+01 -0.491452D+01
                41            42            43            44            45 
      1  -0.126306D+02 -0.528719D+01 -0.155788D+01 -0.500300D+01 -0.644657D+01
      2   0.381207D+02  0.679278D+01  0.343521D+00  0.775823D+01  0.277813D+01
      3  -0.254901D+02 -0.150558D+01  0.121436D+01 -0.275523D+01  0.366843D+01
      4  -0.463485D+02 -0.100994D+02  0.104251D+02 -0.130087D+02 -0.143404D+02
      5  -0.643980D+01 -0.931676D+01  0.113802D+02 -0.116675D+02 -0.120166D+02
      6   0.154941D+02  0.174372D+02 -0.753871D+01  0.191299D+02  0.132290D+02
                46            47            48            49            50 
      1   0.922221D+01  0.280131D+01 -0.491896D+01  0.821477D-01 -0.168166D+01
      2  -0.875218D+01 -0.238867D+01  0.564660D+01  0.731383D+00 -0.228177D+00
      3  -0.470031D+00 -0.412645D+00 -0.727634D+00 -0.813530D+00  0.190984D+01
      4   0.559352D+01  0.441225D+01 -0.307487D+01  0.385138D+01  0.135220D+01
      5  -0.850867D+01 -0.161190D+01  0.113088D+02  0.102513D+00 -0.437028D+01
      6  -0.333752D+01 -0.144473D+01  0.251986D+01 -0.229780D+01 -0.230538D+01
                51            52            53            54            55 
      1   0.158005D+01 -0.615110D+01  0.249452D+01 -0.495140D+00  0.489686D+02
      2  -0.204118D+01  0.997215D+01 -0.263663D+00 -0.184744D+02 -0.271442D+02
      3   0.461126D+00 -0.382105D+01 -0.223085D+01  0.189695D+02 -0.218244D+02
      4  -0.460147D+01 -0.399547D+01 -0.622318D+01  0.747632D+01  0.213776D+02
      5   0.963416D+00  0.165281D+02  0.465930D+01 -0.287064D+02  0.157416D+02
      6   0.614172D+01  0.530214D+01  0.583785D+01 -0.126517D+02  0.344837D+01
                56            57            58            59            60 
      1   0.964216D+01  0.121567D+02  0.160764D+01  0.392259D+01  0.980496D+00
      2  -0.449217D+01 -0.731189D+01  0.115739D+01  0.580203D-01  0.474549D+00
      3  -0.514999D+01 -0.484478D+01 -0.276504D+01 -0.398061D+01 -0.145505D+01
      4   0.131557D+02  0.512024D+01  0.103209D+02  0.563467D+01  0.406866D+01
      5   0.278440D+01  0.114803D+02  0.151260D+01  0.429546D+01  0.148380D+01
      6   0.120895D+01  0.299239D+01  0.149239D+01  0.115658D+01  0.238004D+01
                61            62            63            64            65 
      1   0.178000D+02  0.311035D+01  0.954352D+01  0.828020D+00 -0.100482D+01
      2  -0.113967D+02 -0.115866D+00 -0.877399D+01 -0.535612D+01  0.375601D+00
      3  -0.640332D+01 -0.299449D+01 -0.769535D+00  0.452810D+01  0.629216D+00
      4   0.840703D+01  0.685269D+01  0.692260D+01 -0.756173D-01  0.103855D+01
      5   0.156406D+02  0.514393D+01  0.987037D+01  0.468975D+01  0.825177D+00
      6   0.451794D+01  0.311770D+01  0.199600D+01  0.291852D+00  0.892194D+00
                66            67            68            69            70 
      1  -0.466632D+01 -0.986268D+00 -0.444228D+01 -0.445222D+01 -0.229972D+01
      2  -0.481815D+01  0.840913D+00 -0.107480D+01 -0.575641D+01 -0.282316D+01
      3   0.948447D+01  0.145355D+00  0.551709D+01  0.102086D+02  0.512289D+01
      4  -0.646452D+00 -0.792515D+00  0.161951D+01  0.105847D+01 -0.170419D+01
      5   0.833238D+01  0.156462D+01  0.110896D+01  0.166282D+01  0.614946D+01
      6  -0.236549D+01  0.616908D+00  0.830984D+00  0.395562D+01 -0.830801D+00
                71            72            73            74            75 
      1  -0.172879D+01 -0.234783D+02  0.285465D+00 -0.151111D+01  0.699738D+00
      2  -0.356415D+01 -0.199349D+02  0.288542D+01  0.254554D+01 -0.518754D+00
      3   0.529294D+01  0.434132D+02 -0.317089D+01 -0.103443D+01 -0.180984D+00
      4   0.912044D+00  0.792855D+00  0.447705D+01  0.792812D+01 -0.191079D+01
      5   0.808658D+00  0.747601D+01 -0.223475D+01 -0.337165D+01  0.313139D+01
      6   0.452009D+01 -0.669807D+01 -0.272006D+01 -0.326569D+01  0.217923D+01
                76            77            78            79            80 
      1  -0.230273D+01 -0.209282D+02  0.738083D+01 -0.167412D+00  0.340194D+01
      2   0.424155D+01  0.307703D+02 -0.613187D+01 -0.937872D-01 -0.109536D+01
      3  -0.193881D+01 -0.984200D+01 -0.124897D+01  0.261199D+00 -0.230658D+01
      4   0.737621D+01  0.822968D+01 -0.211177D+01 -0.866279D+00 -0.125451D+01
      5  -0.243059D+01 -0.277052D+01  0.183095D+01  0.179416D+01  0.220625D+01
      6  -0.340491D+01 -0.198728D+02  0.110930D+02  0.177880D+01  0.863792D+01
                81            82            83            84            85 
      1  -0.589474D+01  0.148453D+02 -0.105577D+01 -0.823313D+01 -0.146185D+01
      2   0.196295D+01 -0.130530D+02  0.162711D+01  0.993423D+01  0.219948D+01
      3   0.393179D+01 -0.179229D+01 -0.571337D+00 -0.170111D+01 -0.737630D+00
      4   0.195639D+01 -0.400693D+01  0.590317D+01  0.507753D+01  0.638973D+01
      5  -0.840046D+00 -0.176403D+02  0.533614D+01  0.182537D+02  0.580544D+01
      6  -0.566326D+01  0.376310D+01 -0.154281D+01 -0.254803D+01 -0.320204D+01
                86            87            88            89            90 
      1  -0.454473D+00  0.120080D+01 -0.712566D+01  0.542162D+00  0.157385D+01
      2  -0.347466D+00 -0.254124D+01  0.110291D+02 -0.233580D+01 -0.163485D+02
      3   0.801939D+00  0.134044D+01 -0.390341D+01  0.179364D+01  0.147746D+02
      4  -0.524306D+01 -0.568251D+01  0.417905D+01 -0.460599D+01 -0.703994D+01
      5  -0.672542D+01 -0.697689D+01  0.191074D+02 -0.618795D+01 -0.286213D+02
      6   0.369359D+01  0.741948D+01 -0.402819D+01  0.534782D+01  0.646177D+01
                91            92            93            94            95 
      1  -0.166386D+02  0.915456D+01 -0.163073D+02  0.155834D+02 -0.969271D+01
      2   0.112014D+02 -0.122127D+02  0.101412D+02 -0.174209D+02 -0.722278D+00
      3   0.543720D+01  0.305812D+01  0.616612D+01  0.183750D+01  0.104150D+02
      4   0.793764D+01 -0.990359D+01  0.159578D+02 -0.122583D+02 -0.152628D+02
      5  -0.899483D+01  0.195528D+02  0.214722D+01  0.246788D+02  0.721002D+01
      6   0.469372D+01  0.671914D+01  0.720511D+01  0.705513D+01  0.534791D+01
                96            97            98            99           100 
      1   0.237298D+02 -0.132426D+02  0.223160D+02  0.108504D+02 -0.685856D+01
      2  -0.763698D+01  0.116316D+02 -0.571513D+01 -0.457485D+01  0.214640D+01
      3  -0.160928D+02  0.161107D+01 -0.166009D+02 -0.627553D+01  0.471216D+01
      4   0.110336D+02  0.202063D+02  0.133900D+02 -0.265469D+01 -0.392631D+01
      5  -0.215126D+01  0.509546D+00 -0.338455D+01 -0.665525D+01  0.110072D+00
      6  -0.439246D+01  0.669454D+01 -0.487491D+01 -0.481251D+01  0.275179D+01
               101           102           103           104           105 
      1   0.347162D+01  0.996711D+01  0.243123D+01 -0.682021D+01 -0.949726D+01
      2  -0.220020D+01 -0.239052D+01 -0.489259D+00  0.589825D+01  0.408530D+01
      3  -0.127143D+01 -0.757660D+01 -0.194197D+01  0.921958D+00  0.541195D+01
      4  -0.309894D+00 -0.127813D+01  0.332082D+01  0.643005D+01  0.288222D+01
      5  -0.289042D+01 -0.291063D+01 -0.177356D+01  0.349949D+01  0.531519D+01
      6  -0.430910D+01 -0.557161D+01 -0.210944D+01  0.713978D+01  0.951975D+01
               106           107           108           109           110 
      1   0.101821D+02 -0.954943D+01 -0.174742D+02  0.509135D+02 -0.120621D+02
      2  -0.403617D+01  0.368670D+01 -0.115682D+01 -0.309037D+02  0.874010D+01
      3  -0.614591D+01  0.586273D+01  0.186310D+02 -0.200098D+02  0.332204D+01
      4   0.851185D+00  0.404402D+01  0.427385D+01 -0.670035D+01  0.110573D+02
      5   0.251317D+01  0.616570D+01  0.153960D+02  0.212726D+02 -0.659277D+01
      6  -0.260092D+01  0.995077D+01  0.154197D+02 -0.104229D+01  0.175276D+01
               111           112           113           114           115 
      1   0.146166D+02 -0.222741D+02  0.106727D+02 -0.755884D+01  0.148359D+02
      2  -0.117288D+02  0.146333D+02 -0.576455D+01  0.583091D+01 -0.123430D+02
      3  -0.288781D+01  0.764077D+01 -0.490816D+01  0.172793D+01 -0.249290D+01
      4  -0.340656D+01  0.115047D+02 -0.104855D+02  0.318399D+01 -0.365222D+01
      5   0.140602D+02 -0.113725D+02  0.517086D+01 -0.788043D+01  0.160734D+02
      6  -0.607858D+00  0.208366D+01 -0.374617D+01  0.240356D+01 -0.820585D+00
               116           117           118           119           120 
      1  -0.502348D+01  0.820625D+01  0.181138D+02  0.962537D+01 -0.291704D+01
      2   0.389139D+01 -0.921972D+01 -0.481168D+01  0.140785D+01 -0.195500D+00
      3   0.113209D+01  0.101348D+01 -0.133021D+02 -0.110332D+02  0.311254D+01
      4   0.222476D+01 -0.243090D+01  0.174815D+02  0.186507D+02 -0.677807D+01
      5  -0.450450D+01  0.131836D+02 -0.388925D+01 -0.571901D+01  0.573562D+01
      6   0.293291D+01  0.321369D+00 -0.244226D+01 -0.158428D+01  0.165618D+01
               121           122           123           124           125 
      1   0.106059D+02  0.521924D+01 -0.342597D+01 -0.766279D+01 -0.431641D+01
      2   0.329717D+01  0.147899D+02 -0.303052D+01  0.131649D+01 -0.346849D+01
      3  -0.139031D+02 -0.200091D+02  0.645649D+01  0.634631D+01  0.778489D+01
      4   0.239603D+02  0.347096D+02 -0.934502D+01 -0.114970D+02 -0.140245D+02
      5  -0.600839D+01 -0.808371D+01  0.829158D+01  0.719480D+01  0.908298D+01
      6  -0.231167D+01 -0.415769D+01  0.661999D+01  0.292724D+01  0.690474D+01
               126           127           128           129           130 
      1   0.887603D+00 -0.239904D+01  0.966461D+01 -0.327884D+00  0.112399D+02
      2   0.134606D+01  0.592746D+01 -0.147803D+02  0.308414D+01 -0.164117D+02
      3  -0.223366D+01 -0.352843D+01  0.511566D+01 -0.275626D+01  0.517187D+01
      4   0.915206D+01  0.394169D+01  0.711338D+00  0.522914D+01  0.105639D+01
      5  -0.973698D+01  0.219850D+01  0.119425D+01 -0.148102D+00 -0.571801D+00
      6  -0.581413D+01  0.629544D+01  0.377754D+01 -0.979128D-01  0.446556D+01
               131           132           133           134           135 
      1   0.147127D+02 -0.489963D+01 -0.223658D+00 -0.420365D+01  0.149064D+02
      2  -0.285420D+02  0.116632D+02  0.341987D+01  0.164063D+02 -0.956834D+01
      3   0.138293D+02 -0.676353D+01 -0.319621D+01 -0.122026D+02 -0.533808D+01
      4  -0.171876D+02  0.570797D+01  0.495914D+01  0.664170D+01 -0.261562D+01
      5   0.409609D+01 -0.915974D+00  0.555311D+00 -0.282389D+01 -0.635483D+01
      6   0.140339D+02 -0.775248D+01 -0.822984D+00 -0.130410D+02 -0.255510D+02
               136           137           138           139           140 
      1   0.237888D+01 -0.684956D+00  0.128769D+01 -0.274780D+01 -0.828377D+01
      2  -0.121979D+02  0.118172D+02 -0.276944D+01  0.135165D+02 -0.491412D+00
      3   0.981902D+01 -0.111323D+02  0.148175D+01 -0.107687D+02  0.877518D+01
      4   0.108359D+02 -0.208218D+02 -0.100073D+01 -0.190018D+02  0.134970D+02
      5   0.139091D+01  0.290289D+01  0.202611D+01  0.343105D+01 -0.223796D+00
      6  -0.331727D+01 -0.265610D+01 -0.128779D+01 -0.258455D+01 -0.404663D+01
               141           142           143           144           145 
      1   0.535268D+01  0.152368D+01  0.429949D+01  0.731744D+01 -0.114359D+01
      2  -0.183342D+01 -0.595969D+00 -0.564621D+01  0.110536D+02  0.728088D+01
      3  -0.351925D+01 -0.927707D+00  0.134672D+01 -0.183711D+02 -0.613730D+01
      4  -0.888938D+00 -0.860208D+00  0.265529D+01  0.999082D-01  0.855903D+01
      5  -0.255160D+01  0.220344D+01 -0.141119D+01 -0.895284D+01 -0.172706D+01
      6   0.496753D+01  0.219699D-01  0.378236D+01  0.158049D+02 -0.428427D+01
               146           147           148           149           150 
      1  -0.337892D+01  0.847763D-01 -0.487659D+01 -0.324915D+02  0.607505D+01
      2   0.104917D+02 -0.146680D+01  0.122979D+02  0.610146D+02 -0.108902D+02
      3  -0.711276D+01  0.138202D+01 -0.742130D+01 -0.285231D+02  0.481519D+01
      4   0.143125D+02 -0.375467D+01  0.123964D+02  0.236321D+02 -0.430417D+01
      5  -0.190846D+01  0.256187D+01 -0.162027D+01 -0.306558D+01  0.266626D+01
      6  -0.275226D+01  0.208039D+01 -0.290417D+01 -0.142685D+02  0.104063D+02
               151           152           153           154           155 
      1   0.101571D+01  0.101226D+02 -0.771679D+01 -0.496683D-01 -0.123885D+00
      2  -0.301475D+01 -0.168987D+02  0.880786D+01 -0.213338D+01  0.885227D+00
      3   0.199904D+01  0.677608D+01 -0.109107D+01  0.218305D+01 -0.761342D+00
      4  -0.525191D+01 -0.709063D+01  0.455215D+01 -0.531546D+00  0.321693D+01
      5   0.260484D+01  0.384792D+01 -0.180241D+01  0.114454D+01  0.161125D+01
      6   0.333699D+01  0.145770D+02 -0.623711D+01  0.421148D+01 -0.794319D+00
               156           157           158           159           160 
      1   0.160427D+01 -0.148628D+01 -0.774389D+01 -0.558749D+01  0.133346D+01
      2  -0.141877D+01  0.227277D+01  0.906262D+01  0.452974D+01 -0.112046D+01
      3  -0.185494D+00 -0.786485D+00 -0.131874D+01  0.105774D+01 -0.212999D+00
      4   0.406663D+01  0.202370D+01  0.306583D+01  0.120181D+01  0.517164D+01
      5   0.574876D+01  0.847907D+00  0.126693D+01  0.116783D+01  0.432344D+01
      6  -0.567909D+00  0.131336D+00  0.721288D+01  0.102217D+02  0.193559D+01
               161           162           163           164           165 
      1  -0.952730D+01 -0.193990D+02 -0.151286D+01 -0.375077D+00  0.185138D+01
      2   0.661651D+01  0.557759D+00 -0.836079D+00 -0.103550D+01 -0.837951D-02
      3   0.291079D+01  0.188412D+02  0.234894D+01  0.141058D+01 -0.184300D+01
      4   0.213882D+01  0.343308D+01 -0.285649D+00  0.382661D+01 -0.152403D+01
      5   0.320141D+01  0.871175D+01  0.106701D+01 -0.164272D+00  0.500248D+01
      6   0.166025D+02  0.339539D+02 -0.151472D+01  0.270486D+00  0.170597D+01
               166           167           168           169           170 
      1   0.109748D+01 -0.505245D+00 -0.622924D-01  0.184740D+01  0.348113D+01
      2  -0.268699D+01 -0.144583D+01 -0.378964D+01 -0.258979D+01 -0.356393D+01
      3   0.158952D+01  0.195108D+01  0.385193D+01  0.742391D+00  0.827982D-01
      4   0.316485D+01 -0.978707D+00  0.145857D+01 -0.256405D+01  0.234009D+01
      5   0.238793D+00  0.125920D+01  0.243050D+01  0.524307D+01 -0.573712D+00
      6   0.290459D+00 -0.126016D+01  0.292241D+01 -0.163633D+01  0.513795D+01
               171           172           173           174           175 
      1  -0.148028D+02  0.106087D+02 -0.197021D+01 -0.321413D+00  0.287897D-01
      2  -0.152942D+02  0.508701D+01 -0.109698D+02  0.547221D+00 -0.118276D+02
      3   0.300970D+02 -0.156957D+02  0.129400D+02 -0.225808D+00  0.117988D+02
      4  -0.244177D+01 -0.273141D+02  0.252434D+02 -0.108935D+01  0.238601D+02
      5   0.120480D+02  0.242596D+01 -0.217584D+01  0.412979D+01 -0.194780D+01
      6  -0.185322D+02 -0.694333D+00  0.188505D+01 -0.319808D+01  0.205736D+01
               176           177           178           179           180 
      1  -0.674469D+01  0.238657D+00 -0.147370D+01 -0.451277D+00 -0.166204D+01
      2   0.257548D+02 -0.140129D+00  0.215401D+00  0.195705D+01  0.138910D+01
      3  -0.190101D+02 -0.985276D-01  0.125830D+01 -0.150577D+01  0.272936D+00
      4  -0.284935D+02  0.106797D+01  0.176720D+01 -0.155741D+01 -0.538274D+01
      5   0.118265D+01 -0.261755D+01  0.390053D+01 -0.383140D+01  0.642283D+00
      6  -0.173609D+01  0.459839D+01 -0.453258D+01  0.587481D+01 -0.945263D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 23 14:41:55 2021, MaxMem= 10737418240 cpu:           11852.8 elap:             742.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.45200 -10.53040 -10.45496 -10.44657 -10.44543
 Alpha  occ. eigenvalues --  -10.44336 -10.44212 -10.43160  -1.16918  -0.98168
 Alpha  occ. eigenvalues --   -0.90927  -0.86256  -0.81958  -0.74601  -0.70742
 Alpha  occ. eigenvalues --   -0.63840  -0.61880  -0.59036  -0.58011  -0.55264
 Alpha  occ. eigenvalues --   -0.53479  -0.52699  -0.52005  -0.50569  -0.48248
 Alpha  occ. eigenvalues --   -0.47074  -0.46045  -0.43453  -0.42876  -0.42340
 Alpha  occ. eigenvalues --   -0.35226
 Alpha virt. eigenvalues --    0.04393   0.05854   0.06253   0.06858   0.08100
 Alpha virt. eigenvalues --    0.09187   0.10119   0.10198   0.11438   0.12475
 Alpha virt. eigenvalues --    0.15109   0.15444   0.16023   0.16253   0.17008
 Alpha virt. eigenvalues --    0.18310   0.18582   0.19622   0.21855   0.21968
 Alpha virt. eigenvalues --    0.23249   0.23567   0.23711   0.24727   0.24938
 Alpha virt. eigenvalues --    0.26057   0.27192   0.28632   0.30040   0.30848
 Alpha virt. eigenvalues --    0.31360   0.32202   0.32640   0.33094   0.33768
 Alpha virt. eigenvalues --    0.34289   0.34320   0.35055   0.35666   0.36535
 Alpha virt. eigenvalues --    0.37169   0.37484   0.38030   0.38505   0.38955
 Alpha virt. eigenvalues --    0.39208   0.39881   0.40198   0.40880   0.41390
 Alpha virt. eigenvalues --    0.42747   0.42957   0.43671   0.44051   0.44627
 Alpha virt. eigenvalues --    0.45180   0.46270   0.46984   0.47872   0.48511
 Alpha virt. eigenvalues --    0.48949   0.49248   0.50212   0.50555   0.50756
 Alpha virt. eigenvalues --    0.51985   0.52111   0.52940   0.53467   0.54536
 Alpha virt. eigenvalues --    0.54801   0.54973   0.55817   0.56540   0.57106
 Alpha virt. eigenvalues --    0.57629   0.57960   0.58715   0.59028   0.59955
 Alpha virt. eigenvalues --    0.61042   0.61499   0.62916   0.63509   0.63939
 Alpha virt. eigenvalues --    0.64520   0.65070   0.66024   0.67091   0.68029
 Alpha virt. eigenvalues --    0.68672   0.69741   0.70399   0.71319   0.72574
 Alpha virt. eigenvalues --    0.73037   0.73906   0.75203   0.76940   0.77474
 Alpha virt. eigenvalues --    0.78322   0.80891   0.81854   0.84029   0.85276
 Alpha virt. eigenvalues --    0.87908   0.88550   0.91272   0.96862   0.99531
 Alpha virt. eigenvalues --    1.00053   1.03419   1.04872   1.05513   1.06291
 Alpha virt. eigenvalues --    1.06793   1.08056   1.08660   1.09736   1.10389
 Alpha virt. eigenvalues --    1.11228   1.11332   1.12182   1.12294   1.14377
 Alpha virt. eigenvalues --    1.15149   1.17463   1.17842   1.19107   1.20703
 Alpha virt. eigenvalues --    1.22176   1.22528   1.26371   1.27984   1.31133
 Alpha virt. eigenvalues --    1.32620   1.35426   1.38805   1.40505   1.42012
 Alpha virt. eigenvalues --    1.44103   1.45270   1.49720   1.53472   1.57047
 Alpha virt. eigenvalues --    1.59439   1.59860   1.64917   1.68820   1.71810
 Alpha virt. eigenvalues --    1.73280   1.74684   1.77071   1.79343   1.80393
 Alpha virt. eigenvalues --    1.81005   1.83786   1.85933   1.87903   1.88218
 Alpha virt. eigenvalues --    1.89940   1.91321   1.92616   1.94771   1.96962
 Alpha virt. eigenvalues --    1.99301   2.02250   2.03678   2.04230   2.05271
 Alpha virt. eigenvalues --    2.07187   2.07883   2.09433   2.10060   2.11932
 Alpha virt. eigenvalues --    2.14140   2.14551   2.18495   2.19570   2.20495
 Alpha virt. eigenvalues --    2.21208   2.21959   2.23494   2.26129   2.29083
 Alpha virt. eigenvalues --    2.31472   2.32681   2.36977   2.38494   2.42056
 Alpha virt. eigenvalues --    2.43156   2.48341   2.49679   2.51318   2.53091
 Alpha virt. eigenvalues --    2.54605   2.55598   2.59664   2.62308   2.63573
 Alpha virt. eigenvalues --    2.67805   2.69279   2.70009   2.72220   2.74343
 Alpha virt. eigenvalues --    2.76905   2.79078   2.80934   2.84357   2.87426
 Alpha virt. eigenvalues --    2.95433   2.97936   3.04132   3.04449   3.10245
 Alpha virt. eigenvalues --    3.13468   3.14966   3.17367   3.20443   3.22618
 Alpha virt. eigenvalues --    3.24018   3.25852   3.28001   3.31155   3.33189
 Alpha virt. eigenvalues --    3.36173   3.53500   3.91182
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.932092   0.195925  -0.239196  -0.108606  -0.009393   0.252552
     2  C    0.195925   5.389557   0.299467   0.063150   0.595370   0.100757
     3  C   -0.239196   0.299467   4.886777   0.291562  -0.071917   0.011283
     4  C   -0.108606   0.063150   0.291562   5.741656   0.023507   0.001143
     5  O   -0.009393   0.595370  -0.071917   0.023507   7.652830  -0.030190
     6  H    0.252552   0.100757   0.011283   0.001143  -0.030190   0.670586
     7  H    0.346266   0.069906  -0.019971  -0.005145  -0.011679  -0.073780
     8  H   -0.041677   0.009828   0.349555  -0.015505  -0.008914  -0.003210
     9  H    0.009081   0.116747   0.121687   0.010468  -0.063465   0.001778
    10  H    0.026306  -0.031089  -0.042378   0.057590   0.006655  -0.001189
    11  C    0.003846  -0.020740   0.000505   0.431572  -0.005205   0.002675
    12  H   -0.002239   0.023489  -0.022222   0.130220  -0.004245  -0.000208
    13  H    0.001753  -0.007859   0.012416   0.068430  -0.000119   0.000394
    14  H   -0.001451  -0.007874  -0.012567   0.032041  -0.003931  -0.000039
    15  C    0.260436   0.022270  -0.053858   0.030434  -0.010029  -0.006621
    16  C    0.100406  -0.108594  -0.035507   0.236833   0.001085   0.004773
    17  H    0.044610  -0.014556   0.009617   0.017961   0.001936  -0.059273
    18  H   -0.026715  -0.011756   0.015272   0.006290   0.001791   0.023793
    19  H   -0.024403  -0.027091  -0.030847  -0.052624   0.005608  -0.034864
    20  H    0.014423   0.019690   0.042620   0.121481  -0.002230   0.006443
               7          8          9         10         11         12
     1  C    0.346266  -0.041677   0.009081   0.026306   0.003846  -0.002239
     2  C    0.069906   0.009828   0.116747  -0.031089  -0.020740   0.023489
     3  C   -0.019971   0.349555   0.121687  -0.042378   0.000505  -0.022222
     4  C   -0.005145  -0.015505   0.010468   0.057590   0.431572   0.130220
     5  O   -0.011679  -0.008914  -0.063465   0.006655  -0.005205  -0.004245
     6  H   -0.073780  -0.003210   0.001778  -0.001189   0.002675  -0.000208
     7  H    0.709509   0.005865  -0.001921   0.001115  -0.000100   0.000002
     8  H    0.005865   0.857823  -0.220988  -0.137085   0.022700  -0.005038
     9  H   -0.001921  -0.220988   1.176545   0.122637  -0.073381  -0.018952
    10  H    0.001115  -0.137085   0.122637   1.426515  -0.090475  -0.012306
    11  C   -0.000100   0.022700  -0.073381  -0.090475   4.213029   0.250920
    12  H    0.000002  -0.005038  -0.018952  -0.012306   0.250920   0.777278
    13  H    0.000067  -0.003366   0.010024   0.023266   0.315519  -0.068193
    14  H    0.000041   0.016920  -0.016550  -0.028072   0.247309  -0.038329
    15  C    0.008347   0.017287   0.010647  -0.002332   0.010548   0.007706
    16  C    0.006705  -0.024222   0.028005   0.064148   0.001858  -0.046167
    17  H    0.021640  -0.000660  -0.001129   0.004258  -0.001190  -0.000230
    18  H   -0.064268  -0.026762  -0.001386  -0.007336  -0.001347   0.000864
    19  H    0.002048   0.003364  -0.002248   0.058507  -0.068942   0.006544
    20  H   -0.002245   0.008849  -0.003706  -0.195653   0.001425  -0.005915
              13         14         15         16         17         18
     1  C    0.001753  -0.001451   0.260436   0.100406   0.044610  -0.026715
     2  C   -0.007859  -0.007874   0.022270  -0.108594  -0.014556  -0.011756
     3  C    0.012416  -0.012567  -0.053858  -0.035507   0.009617   0.015272
     4  C    0.068430   0.032041   0.030434   0.236833   0.017961   0.006290
     5  O   -0.000119  -0.003931  -0.010029   0.001085   0.001936   0.001791
     6  H    0.000394  -0.000039  -0.006621   0.004773  -0.059273   0.023793
     7  H    0.000067   0.000041   0.008347   0.006705   0.021640  -0.064268
     8  H   -0.003366   0.016920   0.017287  -0.024222  -0.000660  -0.026762
     9  H    0.010024  -0.016550   0.010647   0.028005  -0.001129  -0.001386
    10  H    0.023266  -0.028072  -0.002332   0.064148   0.004258  -0.007336
    11  C    0.315519   0.247309   0.010548   0.001858  -0.001190  -0.001347
    12  H   -0.068193  -0.038329   0.007706  -0.046167  -0.000230   0.000864
    13  H    0.853349  -0.112378  -0.004068  -0.017938  -0.000404  -0.000404
    14  H   -0.112378   0.873719   0.000105   0.033299  -0.000057  -0.000637
    15  C   -0.004068   0.000105   4.518815   0.292908   0.290419   0.317223
    16  C   -0.017938   0.033299   0.292908   4.630634   0.057175   0.029025
    17  H   -0.000404  -0.000057   0.290419   0.057175   0.949499  -0.138319
    18  H   -0.000404  -0.000637   0.317223   0.029025  -0.138319   0.851674
    19  H   -0.060965   0.005349   0.049348   0.169753   0.044267  -0.026698
    20  H    0.006104   0.007297  -0.108414   0.309490  -0.064491   0.014104
              19         20
     1  C   -0.024403   0.014423
     2  C   -0.027091   0.019690
     3  C   -0.030847   0.042620
     4  C   -0.052624   0.121481
     5  O    0.005608  -0.002230
     6  H   -0.034864   0.006443
     7  H    0.002048  -0.002245
     8  H    0.003364   0.008849
     9  H   -0.002248  -0.003706
    10  H    0.058507  -0.195653
    11  C   -0.068942   0.001425
    12  H    0.006544  -0.005915
    13  H   -0.060965   0.006104
    14  H    0.005349   0.007297
    15  C    0.049348  -0.108414
    16  C    0.169753   0.309490
    17  H    0.044267  -0.064491
    18  H   -0.026698   0.014104
    19  H    1.162779  -0.279642
    20  H   -0.279642   1.303696
 Mulliken charges:
               1
     1  C    0.265984
     2  C   -0.676598
     3  C    0.487701
     4  C   -1.082460
     5  O   -0.067465
     6  H    0.133196
     7  H    0.007596
     8  H    0.195238
     9  H   -0.203894
    10  H   -0.243082
    11  C    0.759474
    12  H    0.027020
    13  H   -0.015629
    14  H    0.005807
    15  C    0.348829
    16  C    0.266333
    17  H   -0.161074
    18  H    0.045592
    19  H    0.100758
    20  H   -0.193326
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.406776
     2  C   -0.676598
     3  C    0.479045
     4  C   -1.325542
     5  O   -0.067465
    11  C    0.776672
    15  C    0.233347
    16  C    0.173765
 Electronic spatial extent (au):  <R**2>=            981.1988
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.7488    Y=              2.8184    Z=              1.2514  Tot=              3.5451
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -52.4502   YY=            -54.6884   ZZ=            -49.2335
   XY=              5.7901   XZ=              1.5942   YZ=             -2.2888
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.3261   YY=             -2.5644   ZZ=              2.8906
   XY=              5.7901   XZ=              1.5942   YZ=             -2.2888
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.9472  YYY=              7.2090  ZZZ=              0.2762  XYY=             -9.1829
  XXY=              9.8137  XXZ=              4.1165  XZZ=              2.1424  YZZ=             -0.4471
  YYZ=              3.0676  XYZ=             -3.1521
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -668.2604 YYYY=           -500.5619 ZZZZ=           -164.3167 XXXY=              9.5492
 XXXZ=              5.8419 YYYX=             13.4542 YYYZ=             -8.2399 ZZZX=             -3.4342
 ZZZY=              2.2567 XXYY=           -205.7956 XXZZ=           -139.0712 YYZZ=           -110.3078
 XXYZ=             -6.7618 YYXZ=              1.6219 ZZXY=              0.2006
 N-N= 3.912914351105D+02 E-N=-1.590909818693D+03  KE= 3.444901501246D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 23 14:41:56 2021, MaxMem= 10737418240 cpu:               4.7 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-6.35028629D-01 1.03621147D+00 4.65101343D-01
 Polarizability= 8.71451293D+01 7.37019006D-01 8.56738357D+01
                -1.69420051D+00 4.74103926D-01 7.18484302D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.9218    0.9203        0.0396    0.0390
 2     -0.9218   -0.9203       -0.4111   -0.4142       -0.4939   -0.5004
 3     -0.0396   -0.0390        7.7688    7.7786        0.4116    0.4142
 4      0.4111    0.4142        0.0000    0.0000       -0.0384   -0.0390
 5     -7.2749   -7.2782        0.0384    0.0390        0.9212    0.9203
 6     -0.4116   -0.4142       -0.9212   -0.9203       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.7608   -2.7608        0.1169    0.1169
 2      1.2426    1.2426       -0.0000    0.0000        0.1169    0.1169
 3      1.2426    1.2426       -2.7608   -2.7608       -0.0000    0.0000
 4     -2.7608   -2.7608       -1.2426   -1.2426       -1.5012   -1.5012
 5     -0.1169   -0.1169       23.3358   23.3358        1.2426    1.2426
 6    -21.8346  -21.8346        0.1169    0.1169        2.7608    2.7608
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1646    0.0000       -3.7739   -3.6811        0.1235   -0.1558
 2      3.4224    3.6811        1.6140    1.6568        2.2001    2.0016
 3     -0.0386    0.1558      -31.4557  -31.1144       -1.7775   -1.6568
 4     -1.6186   -1.6568       -0.0429    0.0000       -0.0175    0.1558
 5     29.5344   29.1128        0.1287   -0.1558       -3.4262   -3.6811
 6      1.7534    1.6568        3.7047    3.6811        0.0110    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2154    0.0000        7.8700    7.5638       10.1605   10.2724
 2     -7.5476   -7.5638       -5.4114   -4.7415      -16.4461  -16.9349
 3    -10.4887  -10.2724        7.5535    7.6591        5.6558    4.7415
 4      4.5807    4.7415        0.2752    0.0000       -9.7525  -10.2724
 5      9.0500    9.2758       10.6454   10.2724        7.5403    7.5638
 6     -4.7441   -4.7415       -7.5747   -7.5638       -0.2193    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      8.5277    8.2111       10.0875   10.0751      -11.3860  -11.5257
 2     19.0274   18.6711       14.1660   14.0367      -11.2925  -11.5257
 3     19.1509   18.6711        9.9912   10.0751      -19.8151  -20.1237
 4     -4.6074   -3.9616      -10.4174  -10.4600      -15.0999  -15.1993
 5     -8.8431   -8.5980        6.5374    6.5546       11.3629   10.4600
 6      8.7558    8.6447        8.5469    8.5980        4.3237    3.9616
 Full mass-weighted force constant matrix:
 Low frequencies ---   -8.5210   -6.3633   -0.0007   -0.0006   -0.0003    6.6701
 Low frequencies ---   59.2935   73.3413  253.6374
 Diagonal vibrational polarizability:
       13.0453635       4.3436223      16.4340118
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --     59.2811                73.3276               253.6373
 Red. masses --      2.3724                 4.1820                 1.1158
 Frc consts  --      0.0049                 0.0132                 0.0423
 IR Inten    --      1.0780                 3.5435                 0.1521
 RamAct Fr= 1--      0.2997                 1.0097                 0.0588
  Dep-P Fr= 1--      0.7186                 0.7011                 0.4500
  Dep-U Fr= 1--      0.8363                 0.8243                 0.6207
 Alpha2 Fr= 1--      0.0002                 0.0009                 0.0004
 Beta2  Fr= 1--      0.0418                 0.1387                 0.0061
 AlphaG Fr= 1--     -0.0025                 0.0021                -0.0039
 Gamma2 Fr= 1--     -0.1435                 0.0196                -0.0008
 Delta2 Fr= 1--     -0.0324                -0.0582                 0.0071
 Raman1 Fr= 1--       1.199                  4.039                  0.235
 ROA1   Fr= 1--     -14.814                  0.015                  0.154
 CID1   Fr= 1--     -12.359                  0.004                  0.656
 Raman2 Fr= 1--       0.501                  1.664                  0.073
 ROA2   Fr= 1--      -3.185                  0.935                 -0.076
 CID2   Fr= 1--      -6.355                  0.562                 -1.037
 Raman3 Fr= 1--       1.002                  3.329                  0.146
 ROA3   Fr= 1--     -14.814                  0.015                  0.154
 CID3   Fr= 1--     -14.778                  0.004                  1.057
 RC180  Fr= 1--       0.673                  0.649                  0.241
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.03   0.17    -0.04   0.00  -0.09     0.02  -0.01   0.04
     2   6     0.02   0.02   0.00     0.06  -0.02  -0.03     0.01  -0.01   0.01
     3   6    -0.00  -0.04  -0.04    -0.04  -0.11  -0.17     0.01  -0.00   0.00
     4   6     0.01   0.01  -0.01    -0.03   0.01  -0.01    -0.00  -0.01   0.01
     5   8    -0.00   0.06  -0.10     0.28  -0.01   0.19    -0.00  -0.01   0.00
     6   1     0.32   0.08   0.25    -0.17  -0.00  -0.13     0.15  -0.03   0.08
     7   1    -0.07   0.01   0.40     0.04   0.03  -0.22    -0.04  -0.01   0.15
     8   1    -0.03  -0.11  -0.00    -0.05  -0.31  -0.09     0.00   0.02  -0.00
     9   1    -0.01  -0.05  -0.12    -0.06  -0.13  -0.35     0.01  -0.00   0.02
    10   1     0.10   0.13   0.00     0.09   0.01   0.07    -0.01  -0.05   0.02
    11   6    -0.13   0.01   0.13    -0.21   0.14   0.06    -0.01   0.02  -0.02
    12   1    -0.22  -0.11   0.12    -0.36   0.16  -0.05    -0.13   0.46  -0.31
    13   1    -0.11   0.05   0.14    -0.22   0.24   0.21    -0.29  -0.08   0.42
    14   1    -0.16   0.10   0.23    -0.21   0.14   0.06     0.38  -0.29  -0.18
    15   6    -0.02   0.01  -0.02    -0.01  -0.02   0.01     0.00   0.01  -0.07
    16   6     0.06  -0.10  -0.14    -0.03   0.01   0.02    -0.03   0.01   0.02
    17   1    -0.01  -0.01  -0.04    -0.02   0.01   0.06    -0.00  -0.04  -0.18
    18   1    -0.16   0.07  -0.03     0.02  -0.10   0.02     0.03   0.14  -0.09
    19   1     0.21  -0.25  -0.10    -0.05   0.04   0.01    -0.10   0.03   0.01
    20   1     0.02  -0.11  -0.35    -0.02   0.02   0.05    -0.01   0.02   0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    277.1194               338.0060               379.7991
 Red. masses --      1.5648                 2.2608                 1.9775
 Frc consts  --      0.0708                 0.1522                 0.1681
 IR Inten    --      0.1971                 0.3528                 0.7763
 RamAct Fr= 1--      0.0560                 0.6897                 0.7160
  Dep-P Fr= 1--      0.1441                 0.4972                 0.2481
  Dep-U Fr= 1--      0.2519                 0.6642                 0.3976
 Alpha2 Fr= 1--      0.0009                 0.0034                 0.0085
 Beta2  Fr= 1--      0.0023                 0.0763                 0.0475
 AlphaG Fr= 1--     -0.0017                 0.0087                -0.0023
 Gamma2 Fr= 1--      0.0143                 0.0788                -0.2364
 Delta2 Fr= 1--      0.0137                -0.0057                 0.0853
 Raman1 Fr= 1--       0.224                  2.759                  2.864
 ROA1   Fr= 1--       1.806                  7.383                -19.969
 CID1   Fr= 1--       8.067                  2.676                 -6.972
 Raman2 Fr= 1--       0.028                  0.916                  0.569
 ROA2   Fr= 1--       0.233                  1.938                 -6.357
 CID2   Fr= 1--       8.265                  2.115                -11.164
 Raman3 Fr= 1--       0.056                  1.832                  1.139
 ROA3   Fr= 1--       1.806                  7.383                -19.969
 CID3   Fr= 1--      32.028                  4.029                -17.534
 RC180  Fr= 1--      -0.496                  0.328                 -0.205
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.05    -0.05   0.03  -0.05     0.08   0.00   0.01
     2   6    -0.00   0.02  -0.01     0.01   0.02   0.08     0.07   0.00  -0.03
     3   6     0.00   0.07   0.00     0.05  -0.05   0.13     0.09   0.14   0.03
     4   6     0.00   0.03  -0.06     0.04  -0.08   0.07    -0.04  -0.07  -0.05
     5   8    -0.03  -0.01   0.01    -0.03   0.05  -0.02     0.02  -0.04  -0.01
     6   1    -0.22   0.07  -0.11    -0.25  -0.05  -0.11     0.20   0.07   0.05
     7   1     0.09   0.01  -0.22     0.06   0.10  -0.24     0.00   0.03   0.14
     8   1    -0.00   0.14  -0.02    -0.00  -0.02   0.13     0.11   0.52  -0.12
     9   1     0.01   0.07   0.07     0.10  -0.07   0.13     0.19   0.16   0.42
    10   1     0.01   0.09  -0.08     0.03  -0.04   0.05    -0.05  -0.13  -0.04
    11   6    -0.02  -0.05   0.03    -0.01   0.16  -0.09    -0.14   0.01  -0.06
    12   1    -0.13   0.16  -0.14    -0.04   0.30  -0.17    -0.24  -0.09  -0.07
    13   1    -0.24  -0.17   0.29     0.10   0.39   0.02    -0.03   0.17  -0.04
    14   1     0.28  -0.19   0.04    -0.16   0.09  -0.32    -0.31   0.10  -0.05
    15   6    -0.00  -0.05   0.14    -0.04   0.00  -0.01    -0.01  -0.07   0.02
    16   6     0.06  -0.01  -0.08     0.04  -0.15  -0.02    -0.05  -0.02   0.04
    17   1     0.03   0.07   0.40    -0.11   0.00  -0.05    -0.05  -0.04   0.07
    18   1    -0.09  -0.32   0.18    -0.03   0.02  -0.02    -0.00  -0.11   0.02
    19   1     0.24  -0.06  -0.06     0.18  -0.33   0.02    -0.14   0.10   0.01
    20   1     0.04  -0.01  -0.24    -0.05  -0.21  -0.25    -0.01   0.00   0.18
                      7                      8                      9
                      A                      A                      A
 Frequencies --    409.7323               465.3983               484.5947
 Red. masses --      3.2142                 2.9942                 3.5321
 Frc consts  --      0.3179                 0.3821                 0.4887
 IR Inten    --      1.3395                 4.5495                 7.5731
 RamAct Fr= 1--      1.5617                 0.6907                 1.0456
  Dep-P Fr= 1--      0.6964                 0.2412                 0.7470
  Dep-U Fr= 1--      0.8211                 0.3886                 0.8552
 Alpha2 Fr= 1--      0.0015                 0.0084                 0.0001
 Beta2  Fr= 1--      0.2137                 0.0447                 0.1490
 AlphaG Fr= 1--     -0.0052                -0.0217                -0.0023
 Gamma2 Fr= 1--      0.0213                 0.3187                -0.7546
 Delta2 Fr= 1--     -0.1651                 0.0549                 0.1231
 Raman1 Fr= 1--       6.247                  2.763                  4.182
 ROA1   Fr= 1--      -3.237                 32.348                -68.499
 CID1   Fr= 1--      -0.518                 11.709                -16.378
 Raman2 Fr= 1--       2.564                  0.537                  1.788
 ROA2   Fr= 1--       1.833                  7.209                -19.095
 CID2   Fr= 1--       0.715                 13.429                -10.678
 Raman3 Fr= 1--       5.129                  1.074                  3.577
 ROA3   Fr= 1--      -3.237                 32.348                -68.499
 CID3   Fr= 1--      -0.631                 30.131                -19.152
 RC180  Fr= 1--       0.642                 -0.223                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.14   0.05  -0.06    -0.11  -0.06   0.05    -0.07  -0.14   0.02
     2   6     0.02   0.13   0.11     0.06  -0.09   0.18    -0.12  -0.05  -0.03
     3   6    -0.07  -0.04   0.00     0.05  -0.08   0.12    -0.12   0.05   0.09
     4   6    -0.07  -0.10  -0.06     0.13  -0.01  -0.16    -0.13   0.04   0.05
     5   8    -0.10   0.12   0.02     0.04   0.03  -0.10     0.21   0.17  -0.11
     6   1    -0.09  -0.13  -0.14    -0.32  -0.22  -0.01    -0.09  -0.20   0.01
     7   1     0.27   0.09  -0.28     0.00   0.09  -0.17    -0.02  -0.31  -0.03
     8   1    -0.29  -0.18   0.12    -0.13   0.01   0.14     0.04   0.33  -0.07
     9   1     0.07  -0.11  -0.25    -0.07  -0.04   0.15    -0.18   0.11   0.46
    10   1    -0.12  -0.12  -0.08     0.13   0.02  -0.17    -0.19   0.07  -0.00
    11   6    -0.14  -0.13  -0.04    -0.05  -0.01   0.01    -0.03  -0.03  -0.01
    12   1    -0.23  -0.20  -0.06    -0.28  -0.17  -0.07     0.08   0.03   0.03
    13   1    -0.17  -0.14   0.01    -0.06   0.05   0.13    -0.08  -0.14  -0.07
    14   1    -0.11  -0.08   0.06    -0.04   0.10   0.19     0.05  -0.09  -0.04
    15   6     0.17   0.02  -0.03    -0.03   0.04  -0.01     0.10  -0.05  -0.00
    16   6     0.09  -0.03   0.09    -0.02   0.14  -0.07     0.07  -0.02   0.03
    17   1     0.04   0.00  -0.15     0.13  -0.00  -0.00     0.14  -0.13  -0.15
    18   1     0.30   0.11  -0.04    -0.10   0.05  -0.02     0.17   0.10  -0.03
    19   1     0.03   0.08   0.06    -0.16   0.43  -0.14     0.15  -0.16   0.06
    20   1     0.15   0.01   0.19    -0.05   0.08   0.26     0.13   0.06  -0.15
                     10                     11                     12
                      A                      A                      A
 Frequencies --    521.5544               618.6865               722.9925
 Red. masses --      2.5700                 2.4260                 2.7736
 Frc consts  --      0.4119                 0.5471                 0.8542
 IR Inten    --      0.9538                 0.7989                 1.5092
 RamAct Fr= 1--      1.3348                 4.9129                17.8364
  Dep-P Fr= 1--      0.3651                 0.0720                 0.0291
  Dep-U Fr= 1--      0.5349                 0.1343                 0.0565
 Alpha2 Fr= 1--      0.0112                 0.0921                 0.3702
 Beta2  Fr= 1--      0.1190                 0.1100                 0.1681
 AlphaG Fr= 1--      0.0296                -0.2270                 0.3597
 Gamma2 Fr= 1--      0.5938                -0.5013                -0.2276
 Delta2 Fr= 1--     -0.3199                -0.1366                -0.1360
 Raman1 Fr= 1--       5.339                 19.652                 71.346
 ROA1   Fr= 1--      46.769                -52.499                -26.205
 CID1   Fr= 1--       8.759                 -2.672                 -0.367
 Raman2 Fr= 1--       1.428                  1.319                  2.017
 ROA2   Fr= 1--      16.811                -10.940                 -4.376
 CID2   Fr= 1--      11.774                 -8.291                 -2.170
 Raman3 Fr= 1--       2.856                  2.639                  4.033
 ROA3   Fr= 1--      46.769                -52.499                -26.205
 CID3   Fr= 1--      16.377                -19.894                 -6.497
 RC180  Fr= 1--       0.070                 -0.731                 -0.887
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10   0.05   0.03     0.06   0.03   0.06     0.05   0.10  -0.12
     2   6    -0.09  -0.05  -0.10     0.18  -0.09   0.08     0.02  -0.07  -0.04
     3   6     0.03  -0.03  -0.03    -0.02   0.05  -0.05    -0.02  -0.11   0.21
     4   6     0.07  -0.08  -0.05    -0.13   0.08   0.04    -0.08   0.01   0.07
     5   8    -0.01  -0.08   0.05     0.02  -0.12  -0.09     0.05  -0.08  -0.03
     6   1    -0.14   0.17   0.03    -0.36  -0.03  -0.06     0.42   0.20  -0.01
     7   1    -0.05  -0.15  -0.01     0.26   0.31  -0.34    -0.14   0.01   0.23
     8   1     0.16   0.22  -0.17    -0.07   0.04  -0.03    -0.03  -0.23   0.26
     9   1     0.07  -0.00   0.25    -0.11   0.07  -0.03    -0.06  -0.12   0.09
    10   1     0.05  -0.11  -0.05    -0.10   0.02   0.08    -0.15   0.09  -0.00
    11   6    -0.05  -0.05  -0.02    -0.03  -0.01  -0.01    -0.08  -0.05  -0.05
    12   1    -0.19  -0.14  -0.07     0.15   0.04   0.08     0.01   0.01  -0.02
    13   1    -0.05   0.01   0.07    -0.07  -0.16  -0.15    -0.08  -0.09  -0.11
    14   1    -0.06   0.02   0.07     0.04  -0.07  -0.04    -0.08  -0.11  -0.13
    15   6     0.04   0.23   0.07    -0.03   0.06   0.04     0.03   0.13  -0.02
    16   6     0.10  -0.00   0.06    -0.04   0.00   0.04     0.01   0.10  -0.05
    17   1     0.00   0.09  -0.26    -0.06  -0.06  -0.23     0.03   0.30   0.34
    18   1     0.13   0.52   0.02     0.01   0.35  -0.01     0.01  -0.26   0.04
    19   1     0.34  -0.04   0.08     0.14  -0.20   0.09     0.04   0.01  -0.03
    20   1    -0.06  -0.13  -0.14    -0.04   0.05  -0.27    -0.02   0.09  -0.14
                     13                     14                     15
                      A                      A                      A
 Frequencies --    801.0996               828.3444               883.2315
 Red. masses --      2.4096                 1.7213                 1.7372
 Frc consts  --      0.9111                 0.6959                 0.7984
 IR Inten    --      2.5253                 1.0839                 4.6868
 RamAct Fr= 1--      2.0746                 3.0839                 0.6982
  Dep-P Fr= 1--      0.4892                 0.2766                 0.6657
  Dep-U Fr= 1--      0.6570                 0.4333                 0.7993
 Alpha2 Fr= 1--      0.0108                 0.0339                 0.0010
 Beta2  Fr= 1--      0.2272                 0.2227                 0.0930
 AlphaG Fr= 1--      0.0190                -0.0706                -0.0229
 Gamma2 Fr= 1--      1.1726                 1.2373                -0.3673
 Delta2 Fr= 1--      0.2641                -0.7253                -0.1643
 Raman1 Fr= 1--       8.298                 12.336                  2.793
 ROA1   Fr= 1--     121.017                 95.569                -40.514
 CID1   Fr= 1--      14.583                  7.747                -14.507
 Raman2 Fr= 1--       2.726                  2.673                  1.116
 ROA2   Fr= 1--      26.029                 35.496                 -7.501
 CID2   Fr= 1--       9.548                 13.281                 -6.720
 Raman3 Fr= 1--       5.452                  5.346                  2.232
 ROA3   Fr= 1--     121.017                 95.569                -40.514
 CID3   Fr= 1--      22.196                 17.878                -18.150
 RC180  Fr= 1--       0.314                 -0.133                  0.599
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.13   0.02    -0.07  -0.03  -0.10    -0.05   0.07   0.04
     2   6     0.03   0.07   0.01     0.06   0.00   0.02    -0.00   0.02  -0.09
     3   6     0.21   0.03  -0.01    -0.01   0.07   0.05     0.04  -0.00   0.10
     4   6    -0.05   0.02   0.07     0.03   0.05  -0.09    -0.02   0.06   0.00
     5   8    -0.04   0.03   0.03     0.01  -0.01  -0.02     0.01  -0.03   0.01
     6   1    -0.02  -0.12   0.05     0.32   0.07   0.02    -0.20   0.34   0.02
     7   1    -0.12  -0.21   0.07    -0.30  -0.01   0.27     0.01   0.05  -0.06
     8   1     0.20  -0.23   0.09    -0.24  -0.16   0.20     0.10  -0.20   0.15
     9   1     0.35  -0.05  -0.33    -0.10   0.06  -0.25     0.06  -0.03  -0.11
    10   1     0.02  -0.06   0.14    -0.08  -0.03  -0.12    -0.02   0.27  -0.07
    11   6    -0.09  -0.07  -0.06     0.02   0.02  -0.02    -0.05  -0.01  -0.03
    12   1     0.02   0.02  -0.03    -0.16  -0.15  -0.06     0.06   0.02   0.03
    13   1    -0.05  -0.06  -0.13    -0.07  -0.04   0.07    -0.08  -0.12  -0.12
    14   1    -0.14  -0.13  -0.20     0.11   0.14   0.23     0.02  -0.06  -0.05
    15   6     0.03  -0.01   0.03    -0.05  -0.05   0.03    -0.03  -0.11   0.01
    16   6    -0.05   0.12  -0.04     0.01  -0.03   0.12     0.11  -0.04  -0.02
    17   1     0.30  -0.12  -0.05    -0.18  -0.11  -0.17    -0.10  -0.24  -0.29
    18   1     0.07   0.08   0.01     0.26   0.07   0.01    -0.16   0.25  -0.05
    19   1     0.17  -0.14   0.03     0.29  -0.12   0.15    -0.10   0.25  -0.09
    20   1    -0.04   0.17  -0.37    -0.05  -0.05  -0.16     0.33   0.11   0.34
                     16                     17                     18
                      A                      A                      A
 Frequencies --    912.1429               960.1166               976.4474
 Red. masses --      1.8120                 2.3242                 1.5111
 Frc consts  --      0.8883                 1.2623                 0.8489
 IR Inten    --      1.9760                 0.5660                 0.1330
 RamAct Fr= 1--      1.4586                 5.2907                 2.2673
  Dep-P Fr= 1--      0.2114                 0.6017                 0.6842
  Dep-U Fr= 1--      0.3491                 0.7513                 0.8125
 Alpha2 Fr= 1--      0.0192                 0.0145                 0.0026
 Beta2  Fr= 1--      0.0849                 0.6625                 0.3070
 AlphaG Fr= 1--      0.0249                 0.0272                 0.0161
 Gamma2 Fr= 1--     -1.0644                 0.5433                 0.1241
 Delta2 Fr= 1--     -0.2416                 0.0522                -1.2260
 Raman1 Fr= 1--       5.834                 21.163                  9.069
 ROA1   Fr= 1--    -109.913                 53.830                -27.321
 CID1   Fr= 1--     -18.839                  2.544                 -3.012
 Raman2 Fr= 1--       1.018                  7.950                  3.684
 ROA2   Fr= 1--     -23.612                 12.623                 12.786
 CID2   Fr= 1--     -23.189                  1.588                  3.470
 Raman3 Fr= 1--       2.037                 15.900                  7.368
 ROA3   Fr= 1--    -109.913                 53.830                -27.321
 CID3   Fr= 1--     -53.971                  3.385                 -3.708
 RC180  Fr= 1--      -0.302                  0.503                  0.625
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.05  -0.02    -0.14   0.02   0.02    -0.02   0.08   0.04
     2   6     0.03  -0.01   0.09     0.05  -0.03   0.04    -0.01  -0.00  -0.03
     3   6     0.04  -0.10  -0.10    -0.08   0.19  -0.06    -0.02  -0.04   0.00
     4   6    -0.03   0.03   0.00     0.05  -0.05   0.09    -0.02  -0.03   0.03
     5   8    -0.03   0.01   0.00     0.02  -0.04  -0.04    -0.00  -0.01   0.01
     6   1     0.12  -0.09   0.03    -0.02  -0.02   0.05    -0.12   0.11   0.02
     7   1    -0.27   0.30   0.18    -0.20   0.15   0.09    -0.03   0.37  -0.02
     8   1     0.01   0.31  -0.24    -0.10  -0.13   0.07     0.14   0.01  -0.06
     9   1     0.17  -0.08   0.30    -0.27   0.21  -0.28    -0.04  -0.03   0.10
    10   1     0.17   0.05   0.13     0.04  -0.00   0.07    -0.26  -0.29  -0.03
    11   6    -0.05   0.03  -0.00    -0.02  -0.11   0.01     0.07  -0.02  -0.01
    12   1     0.23   0.05   0.17    -0.05   0.11  -0.11    -0.29  -0.17  -0.18
    13   1    -0.15  -0.26  -0.24     0.19   0.25   0.11     0.08   0.19   0.28
    14   1     0.15  -0.06   0.01    -0.32  -0.17  -0.32    -0.06   0.15   0.15
    15   6    -0.01  -0.03  -0.07     0.04   0.04  -0.06     0.01  -0.10  -0.06
    16   6     0.11   0.00   0.05     0.11  -0.03  -0.00     0.02   0.11   0.01
    17   1    -0.04   0.06   0.10     0.16   0.12   0.18     0.15  -0.13  -0.03
    18   1     0.08  -0.23  -0.03    -0.08  -0.20  -0.02     0.00  -0.08  -0.06
    19   1     0.08  -0.01   0.05    -0.11   0.03  -0.02     0.10  -0.20   0.08
    20   1     0.17   0.06   0.05     0.15  -0.03   0.22     0.17   0.29  -0.27
                     19                     20                     21
                      A                      A                      A
 Frequencies --    989.3570              1028.4673              1063.1149
 Red. masses --      1.7605                 1.7996                 1.7636
 Frc consts  --      1.0153                 1.1215                 1.1744
 IR Inten    --      7.4907                 2.2655                 2.3773
 RamAct Fr= 1--      2.1339                 1.1283                 6.4177
  Dep-P Fr= 1--      0.7495                 0.7498                 0.7452
  Dep-U Fr= 1--      0.8568                 0.8570                 0.8540
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0005
 Beta2  Fr= 1--      0.3047                 0.1612                 0.9134
 AlphaG Fr= 1--     -0.0034                 0.0008                -0.0109
 Gamma2 Fr= 1--     -0.6940                 0.3477                 1.4844
 Delta2 Fr= 1--     -0.9801                -0.2743                 0.1750
 Raman1 Fr= 1--       8.535                  4.513                 25.671
 ROA1   Fr= 1--     -97.983                 24.600                148.104
 CID1   Fr= 1--     -11.480                  5.451                  5.769
 Raman2 Fr= 1--       3.657                  1.934                 10.961
 ROA2   Fr= 1--      -8.815                 10.539                 34.226
 CID2   Fr= 1--      -2.411                  5.449                  3.122
 Raman3 Fr= 1--       7.313                  3.868                 21.922
 ROA3   Fr= 1--     -97.983                 24.600                148.104
 CID3   Fr= 1--     -13.398                  6.360                  6.756
 RC180  Fr= 1--       0.714                  0.714                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.06     0.10   0.01  -0.04    -0.04   0.08   0.03
     2   6     0.06   0.03   0.01    -0.07  -0.03   0.02    -0.01  -0.00  -0.03
     3   6    -0.06  -0.03  -0.01    -0.02  -0.02  -0.01    -0.02   0.00   0.02
     4   6    -0.06  -0.11  -0.03     0.13   0.05   0.01     0.10   0.03  -0.00
     5   8    -0.01  -0.01  -0.00    -0.01   0.04   0.01    -0.00  -0.00   0.01
     6   1     0.12   0.25  -0.00     0.09  -0.12  -0.04    -0.09   0.28   0.03
     7   1    -0.13   0.01   0.10     0.05   0.19  -0.00    -0.06   0.25   0.02
     8   1    -0.35   0.18  -0.01     0.24  -0.03  -0.08    -0.03  -0.01   0.03
     9   1     0.15  -0.08   0.09    -0.32   0.08   0.12    -0.24   0.06   0.05
    10   1     0.03   0.04  -0.03     0.31   0.18   0.09     0.24   0.05   0.08
    11   6     0.04   0.01   0.12    -0.06  -0.10  -0.00    -0.05   0.01  -0.04
    12   1     0.21   0.26   0.11     0.03   0.11  -0.05     0.06  -0.03   0.05
    13   1     0.23   0.21   0.05     0.10   0.09  -0.06    -0.13  -0.18  -0.17
    14   1    -0.14  -0.12  -0.23    -0.24  -0.21  -0.33     0.09  -0.03   0.01
    15   6     0.03  -0.05   0.08    -0.09  -0.07   0.02     0.14  -0.06   0.01
    16   6    -0.02   0.06  -0.08    -0.01   0.08   0.03    -0.13  -0.04  -0.01
    17   1     0.15  -0.22  -0.22    -0.32  -0.09  -0.16     0.49  -0.17  -0.01
    18   1     0.20   0.25   0.03     0.16   0.08   0.00     0.28  -0.03   0.01
    19   1     0.17   0.24  -0.10     0.29   0.09   0.04    -0.14  -0.17   0.02
    20   1    -0.04   0.04  -0.05    -0.05   0.06  -0.16    -0.32  -0.23  -0.05
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1114.3758              1141.9120              1154.8234
 Red. masses --      1.5765                 1.9878                 1.6356
 Frc consts  --      1.1535                 1.5272                 1.2852
 IR Inten    --      5.7519                 0.7543                18.9675
 RamAct Fr= 1--      2.2480                 2.2137                 2.1129
  Dep-P Fr= 1--      0.6726                 0.3472                 0.7084
  Dep-U Fr= 1--      0.8042                 0.5155                 0.8293
 Alpha2 Fr= 1--      0.0031                 0.0196                 0.0015
 Beta2  Fr= 1--      0.3013                 0.1902                 0.2920
 AlphaG Fr= 1--     -0.0199                 0.0145                -0.0290
 Gamma2 Fr= 1--     -1.6878                -0.0332                -0.7974
 Delta2 Fr= 1--     -1.5202                 0.3466                -1.7633
 Raman1 Fr= 1--       8.992                  8.855                  8.451
 ROA1   Fr= 1--    -210.675                  7.903               -132.976
 CID1   Fr= 1--     -23.429                  0.893                -15.734
 Raman2 Fr= 1--       3.616                  2.282                  3.504
 ROA2   Fr= 1--     -28.345                 -3.569                 -5.031
 CID2   Fr= 1--      -7.839                 -1.564                 -1.436
 Raman3 Fr= 1--       7.232                  4.565                  7.009
 ROA3   Fr= 1--    -210.675                  7.903               -132.976
 CID3   Fr= 1--     -29.132                  1.731                -18.973
 RC180  Fr= 1--       0.608                  0.031                  0.659
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.05   0.02    -0.01   0.01  -0.11     0.02  -0.09  -0.02
     2   6    -0.04  -0.04   0.03     0.06  -0.01   0.12     0.07   0.07  -0.05
     3   6     0.07  -0.01  -0.01    -0.01  -0.06  -0.08    -0.09  -0.01  -0.00
     4   6    -0.10   0.07  -0.06     0.01   0.10   0.09     0.02  -0.02   0.11
     5   8     0.00  -0.00  -0.00    -0.03   0.03  -0.00    -0.01   0.00   0.01
     6   1     0.03  -0.24   0.02     0.17   0.34  -0.03     0.09  -0.22  -0.01
     7   1    -0.08   0.24   0.04    -0.08  -0.36   0.11    -0.07   0.39   0.01
     8   1     0.45  -0.15  -0.07     0.18   0.07  -0.18     0.23  -0.02  -0.08
     9   1     0.05  -0.01  -0.06    -0.18   0.02   0.22     0.15  -0.06   0.10
    10   1    -0.23   0.27  -0.22    -0.04   0.01   0.10    -0.15   0.26  -0.11
    11   6     0.05  -0.03   0.03     0.03  -0.05  -0.07     0.00   0.01  -0.06
    12   1    -0.06   0.08  -0.08    -0.25  -0.17  -0.19    -0.11  -0.15  -0.05
    13   1     0.15   0.20   0.15     0.00   0.07   0.17    -0.11  -0.08   0.04
    14   1    -0.13   0.02  -0.05    -0.09   0.09   0.07     0.08   0.08   0.12
    15   6     0.08   0.01   0.02     0.03   0.01   0.10    -0.08   0.02   0.03
    16   6    -0.05  -0.09  -0.02    -0.02  -0.05  -0.07     0.06   0.02  -0.03
    17   1    -0.12   0.06   0.00     0.02  -0.09  -0.12     0.33  -0.12  -0.03
    18   1     0.43  -0.09   0.04    -0.16   0.26   0.05     0.02   0.06   0.03
    19   1     0.03   0.19  -0.07    -0.31  -0.08  -0.07     0.13   0.24  -0.06
    20   1    -0.08  -0.13   0.10     0.14   0.07   0.14    -0.31  -0.34   0.14
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1197.3847              1238.5635              1252.4262
 Red. masses --      1.8618                 1.4945                 1.4973
 Frc consts  --      1.5728                 1.3508                 1.3837
 IR Inten    --     16.1840                 6.2650                19.4963
 RamAct Fr= 1--      2.8652                 1.6289                 4.2143
  Dep-P Fr= 1--      0.7495                 0.5016                 0.5339
  Dep-U Fr= 1--      0.8568                 0.6681                 0.6962
 Alpha2 Fr= 1--      0.0000                 0.0080                 0.0176
 Beta2  Fr= 1--      0.4092                 0.1814                 0.4890
 AlphaG Fr= 1--     -0.0044                 0.0593                 0.0445
 Gamma2 Fr= 1--      4.0288                 1.6373                 2.0335
 Delta2 Fr= 1--      0.8484                 1.0167                 0.1442
 Raman1 Fr= 1--      11.461                  6.516                 16.857
 ROA1   Fr= 1--     413.918                189.718                199.833
 CID1   Fr= 1--      36.116                 29.118                 11.854
 Raman2 Fr= 1--       4.910                  2.177                  5.868
 ROA2   Fr= 1--      89.905                 31.162                 47.652
 CID2   Fr= 1--      18.311                 14.317                  8.121
 Raman3 Fr= 1--       9.820                  4.353                 11.735
 ROA3   Fr= 1--     413.918                189.718                199.833
 CID3   Fr= 1--      42.152                 43.581                 17.028
 RC180  Fr= 1--       0.714                  0.336                  0.392
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03   0.05    -0.05   0.05   0.07     0.04   0.01  -0.01
     2   6     0.08   0.08  -0.07     0.06   0.05  -0.06    -0.13  -0.10   0.05
     3   6    -0.03  -0.09   0.01    -0.03  -0.01   0.00     0.00   0.04  -0.02
     4   6     0.02   0.14  -0.04     0.03  -0.01   0.10     0.00   0.04   0.06
     5   8    -0.01  -0.02   0.01     0.00  -0.03  -0.00     0.04  -0.00  -0.02
     6   1    -0.11   0.05   0.03    -0.05  -0.35   0.04    -0.01   0.15  -0.02
     7   1     0.07  -0.19  -0.06     0.05  -0.26  -0.03    -0.02   0.26   0.02
     8   1    -0.32   0.22  -0.03    -0.27   0.10   0.03    -0.40   0.15   0.05
     9   1     0.21  -0.13   0.15    -0.00  -0.01   0.07     0.67  -0.16  -0.22
    10   1    -0.00   0.47  -0.18     0.13   0.08   0.13     0.19   0.14   0.14
    11   6     0.02  -0.09   0.02     0.01   0.00  -0.06     0.02  -0.03  -0.04
    12   1    -0.11   0.08  -0.15    -0.11  -0.16  -0.06    -0.13  -0.09  -0.11
    13   1     0.17   0.20   0.11    -0.08  -0.06   0.05    -0.00   0.03   0.09
    14   1    -0.24  -0.07  -0.17     0.04   0.07   0.08    -0.04   0.06   0.04
    15   6    -0.01   0.01  -0.06     0.02  -0.02   0.01     0.01  -0.01   0.02
    16   6    -0.02  -0.01   0.10    -0.04  -0.00  -0.07     0.01   0.01  -0.02
    17   1     0.12   0.05   0.10    -0.45   0.09  -0.05    -0.08  -0.01  -0.02
    18   1    -0.11  -0.14  -0.04     0.50  -0.12   0.03     0.03   0.05   0.01
    19   1    -0.07  -0.23   0.14     0.07   0.18  -0.10    -0.06  -0.03  -0.01
    20   1    -0.09  -0.06  -0.04     0.12   0.15  -0.03    -0.09  -0.08   0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1276.6638              1307.5422              1343.8657
 Red. masses --      1.3477                 1.4455                 1.4351
 Frc consts  --      1.2942                 1.4561                 1.5270
 IR Inten    --      4.8543                 6.7854                 1.4483
 RamAct Fr= 1--      3.3304                 4.1352                 1.8634
  Dep-P Fr= 1--      0.4863                 0.6904                 0.6507
  Dep-U Fr= 1--      0.6543                 0.8168                 0.7884
 Alpha2 Fr= 1--      0.0175                 0.0043                 0.0033
 Beta2  Fr= 1--      0.3632                 0.5630                 0.2448
 AlphaG Fr= 1--     -0.0229                 0.0018                -0.0078
 Gamma2 Fr= 1--      0.8341                -0.8890                 0.3276
 Delta2 Fr= 1--      0.5820                 0.2636                 0.2093
 Raman1 Fr= 1--      13.322                 16.541                  7.454
 ROA1   Fr= 1--      98.697                -76.904                 38.145
 CID1   Fr= 1--       7.409                 -4.649                  5.118
 Raman2 Fr= 1--       4.358                  6.755                  2.938
 ROA2   Fr= 1--      15.363                -23.444                  6.188
 CID2   Fr= 1--       3.525                 -3.470                  2.106
 Raman3 Fr= 1--       8.717                 13.511                  5.876
 ROA3   Fr= 1--      98.697                -76.904                 38.145
 CID3   Fr= 1--      11.323                 -5.692                  6.491
 RC180  Fr= 1--       0.309                  0.634                  0.577
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.04  -0.02    -0.03   0.01  -0.02     0.01  -0.13   0.01
     2   6    -0.03   0.03  -0.08     0.03   0.01   0.01     0.01   0.01  -0.01
     3   6     0.06  -0.04   0.02    -0.13   0.03   0.02    -0.01   0.00   0.01
     4   6    -0.01   0.05  -0.02     0.10  -0.04  -0.04    -0.03  -0.07  -0.01
     5   8     0.00  -0.00   0.01     0.01  -0.02  -0.01    -0.01   0.02   0.01
     6   1     0.13  -0.46  -0.02     0.09  -0.21   0.00    -0.04   0.47   0.03
     7   1    -0.11   0.49   0.03    -0.05   0.05   0.02    -0.03   0.31  -0.04
     8   1    -0.33   0.12   0.07     0.37  -0.10  -0.07     0.09  -0.05  -0.00
     9   1    -0.23   0.04   0.01     0.46  -0.13  -0.03    -0.11   0.03   0.04
    10   1     0.07  -0.18   0.11    -0.05   0.13  -0.20     0.36   0.36   0.09
    11   6     0.01  -0.01   0.01    -0.03   0.01   0.01     0.02   0.01  -0.03
    12   1    -0.03   0.02  -0.03     0.08   0.03   0.07    -0.01  -0.07  -0.01
    13   1     0.03   0.02   0.01     0.01  -0.01  -0.10    -0.01   0.03   0.09
    14   1    -0.05  -0.01  -0.04     0.09  -0.07  -0.03     0.06   0.07   0.10
    15   6    -0.00   0.04   0.09     0.04   0.01   0.05     0.01   0.07  -0.02
    16   6     0.00  -0.05  -0.03    -0.05   0.01   0.00    -0.07  -0.06   0.02
    17   1     0.13  -0.04  -0.02    -0.13   0.02  -0.02    -0.03   0.13   0.08
    18   1    -0.07   0.17   0.07    -0.06   0.12   0.04     0.08  -0.08   0.01
    19   1    -0.26  -0.16  -0.02    -0.28  -0.36   0.06     0.12   0.13  -0.01
    20   1     0.25   0.17   0.06     0.27   0.31  -0.07     0.34   0.35  -0.10
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1346.4949              1373.4657              1377.0396
 Red. masses --      1.3480                 1.4145                 1.3904
 Frc consts  --      1.4399                 1.5721                 1.5534
 IR Inten    --      6.6765                 4.4183                 1.5841
 RamAct Fr= 1--      1.8105                 0.9584                 3.3553
  Dep-P Fr= 1--      0.7479                 0.7278                 0.7392
  Dep-U Fr= 1--      0.8558                 0.8425                 0.8501
 Alpha2 Fr= 1--      0.0001                 0.0004                 0.0006
 Beta2  Fr= 1--      0.2582                 0.1346                 0.4754
 AlphaG Fr= 1--      0.0014                 0.0113                 0.0006
 Gamma2 Fr= 1--      1.2330                -1.1107                 2.3457
 Delta2 Fr= 1--      0.2186                -0.3390                 1.4391
 Raman1 Fr= 1--       7.242                  3.833                 13.421
 ROA1   Fr= 1--     125.363               -117.473                271.237
 CID1   Fr= 1--      17.310                -30.644                 20.210
 Raman2 Fr= 1--       3.099                  1.615                  5.704
 ROA2   Fr= 1--      27.842                -23.944                 44.783
 CID2   Fr= 1--       8.985                -14.828                  7.851
 Raman3 Fr= 1--       6.197                  3.230                 11.409
 ROA3   Fr= 1--     125.363               -117.473                271.237
 CID3   Fr= 1--      20.228                -36.374                 23.775
 RC180  Fr= 1--       0.712                  0.685                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.12  -0.03     0.04   0.01   0.00     0.00   0.01   0.01
     2   6    -0.03  -0.02   0.02    -0.04  -0.03   0.03     0.03   0.02  -0.01
     3   6     0.02   0.02  -0.01     0.03   0.00  -0.03    -0.09   0.01   0.05
     4   6    -0.05  -0.06  -0.00     0.05  -0.01   0.02    -0.05   0.07  -0.08
     5   8     0.01  -0.01  -0.01     0.00   0.01  -0.00     0.00  -0.01  -0.00
     6   1     0.10  -0.42  -0.04    -0.07   0.13  -0.02    -0.01  -0.00   0.01
     7   1     0.03  -0.26   0.02     0.07  -0.15   0.01     0.05  -0.12  -0.03
     8   1     0.00  -0.03   0.01    -0.11   0.07  -0.01     0.28  -0.12   0.00
     9   1    -0.03   0.03  -0.03    -0.01   0.01  -0.05     0.23  -0.08   0.03
    10   1     0.30   0.41   0.05    -0.30   0.07  -0.24     0.46  -0.44   0.45
    11   6     0.02   0.00  -0.03    -0.02   0.01   0.01     0.02  -0.03  -0.00
    12   1    -0.01  -0.05  -0.02     0.03  -0.00   0.05    -0.01   0.09  -0.07
    13   1    -0.00   0.04   0.10    -0.01  -0.02  -0.05     0.07   0.08   0.04
    14   1     0.04   0.08   0.10     0.03  -0.06  -0.04    -0.05   0.05   0.06
    15   6    -0.03  -0.02  -0.01    -0.15   0.04  -0.00    -0.07   0.02  -0.01
    16   6    -0.04  -0.02   0.05     0.01  -0.03  -0.02     0.04  -0.03  -0.01
    17   1     0.47  -0.13   0.04     0.43  -0.10   0.04     0.22  -0.06  -0.00
    18   1    -0.27   0.12  -0.03     0.62  -0.11   0.04     0.28  -0.10   0.02
    19   1     0.20   0.09   0.04    -0.14  -0.12  -0.01    -0.07   0.03  -0.03
    20   1     0.12   0.14  -0.04     0.26   0.19   0.05     0.03  -0.04   0.04
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1387.6987              1417.5781              1449.7409
 Red. masses --      1.4461                 1.2303                 1.0810
 Frc consts  --      1.6407                 1.4567                 1.3386
 IR Inten    --      2.1634                 5.2225                 7.9061
 RamAct Fr= 1--      2.3745                 0.3426                 7.1838
  Dep-P Fr= 1--      0.7258                 0.5667                 0.7001
  Dep-U Fr= 1--      0.8411                 0.7234                 0.8236
 Alpha2 Fr= 1--      0.0010                 0.0012                 0.0063
 Beta2  Fr= 1--      0.3329                 0.0413                 0.9861
 AlphaG Fr= 1--     -0.0046                -0.0046                -0.0301
 Gamma2 Fr= 1--      0.8477                -0.2278                 0.8669
 Delta2 Fr= 1--     -0.5897                -0.0578                -0.3467
 Raman1 Fr= 1--       9.498                  1.370                 28.735
 ROA1   Fr= 1--      62.511                -23.716                 72.124
 CID1   Fr= 1--       6.581                -17.306                  2.510
 Raman2 Fr= 1--       3.994                  0.496                 11.833
 ROA2   Fr= 1--      25.063                 -5.005                 23.578
 CID2   Fr= 1--       6.275                -10.097                  1.993
 Raman3 Fr= 1--       7.989                  0.991                 23.666
 ROA3   Fr= 1--      62.511                -23.716                 72.124
 CID3   Fr= 1--       7.825                -23.922                  3.048
 RC180  Fr= 1--       0.682                  0.447                  0.647
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.00     0.00  -0.00   0.00    -0.07   0.00   0.03
     2   6    -0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.01  -0.01   0.01
     3   6    -0.03  -0.01   0.00     0.01  -0.00  -0.01     0.01  -0.00   0.00
     4   6     0.09   0.09   0.04     0.01   0.00   0.01    -0.00  -0.01  -0.00
     5   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     6   1     0.07   0.01   0.01    -0.02  -0.01  -0.00     0.67   0.09   0.21
     7   1     0.02   0.04  -0.05    -0.01   0.01   0.01     0.33   0.05  -0.60
     8   1    -0.05   0.10  -0.04    -0.06  -0.02   0.02    -0.01   0.03  -0.01
     9   1     0.20  -0.08  -0.04    -0.03   0.01   0.06    -0.02   0.00  -0.04
    10   1    -0.29  -0.38  -0.04    -0.05   0.01  -0.03    -0.00   0.03  -0.01
    11   6    -0.04  -0.02   0.01    -0.09  -0.07  -0.08    -0.00  -0.00  -0.00
    12   1     0.05   0.09   0.01     0.50   0.23   0.18     0.01   0.00   0.01
    13   1     0.05   0.04  -0.08     0.16   0.47   0.27    -0.00   0.01   0.01
    14   1     0.02  -0.04   0.02     0.27   0.12   0.46     0.00   0.00   0.01
    15   6     0.02   0.02  -0.02     0.00  -0.01   0.01    -0.01  -0.00   0.01
    16   6    -0.09  -0.10   0.01     0.01   0.02  -0.01     0.01   0.01  -0.01
    17   1     0.16   0.00   0.02    -0.06  -0.00  -0.02     0.01  -0.04  -0.05
    18   1    -0.22  -0.03  -0.02     0.02  -0.00   0.00     0.01  -0.06   0.01
    19   1     0.51   0.47  -0.07    -0.07  -0.03  -0.01     0.02  -0.09   0.02
    20   1     0.21   0.18  -0.00    -0.05  -0.04  -0.01    -0.01  -0.02   0.07
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1473.8154              1496.5326              1499.3447
 Red. masses --      1.0956                 1.0650                 1.0590
 Frc consts  --      1.4022                 1.4053                 1.4026
 IR Inten    --     10.7242                 1.9161                 3.7228
 RamAct Fr= 1--      6.0098                 3.2086                 6.7446
  Dep-P Fr= 1--      0.7500                 0.7221                 0.7460
  Dep-U Fr= 1--      0.8571                 0.8386                 0.8546
 Alpha2 Fr= 1--      0.0000                 0.0015                 0.0005
 Beta2  Fr= 1--      0.8585                 0.4485                 0.9606
 AlphaG Fr= 1--     -0.0000                -0.0092                 0.0005
 Gamma2 Fr= 1--     -0.9173                -3.6891                 2.3683
 Delta2 Fr= 1--      0.0146                -2.7604                 1.4104
 Raman1 Fr= 1--      24.039                 12.834                 26.978
 ROA1   Fr= 1--     -87.591               -442.486                272.496
 CID1   Fr= 1--      -3.644                -34.477                 10.101
 Raman2 Fr= 1--      10.303                  5.382                 11.527
 ROA2   Fr= 1--     -22.131                -66.455                 45.557
 CID2   Fr= 1--      -2.148                -12.348                  3.952
 Raman3 Fr= 1--      20.605                 10.763                 23.054
 ROA3   Fr= 1--     -87.591               -442.486                272.496
 CID3   Fr= 1--      -4.251                -41.110                 11.820
 RC180  Fr= 1--       0.714                  0.677                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.01  -0.00    -0.00   0.00  -0.00
     2   6    -0.01  -0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.01   0.00
     3   6     0.01   0.04  -0.07    -0.01   0.00   0.00     0.00   0.01  -0.01
     4   6     0.00   0.01  -0.00     0.02   0.01  -0.01     0.02  -0.03   0.02
     5   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   1     0.02  -0.01   0.01     0.04  -0.01   0.01     0.04  -0.01   0.01
     7   1     0.01   0.03  -0.02     0.02   0.00  -0.03     0.01   0.00  -0.03
     8   1    -0.20  -0.58   0.26     0.00  -0.00  -0.00    -0.02  -0.03   0.01
     9   1     0.17   0.07   0.65     0.04  -0.01   0.00     0.00   0.01   0.03
    10   1    -0.03  -0.01  -0.02    -0.03  -0.04  -0.03    -0.04   0.05  -0.05
    11   6    -0.00   0.01   0.01     0.01   0.02  -0.03     0.02  -0.04   0.02
    12   1    -0.08  -0.06  -0.01     0.27  -0.21   0.26    -0.05   0.53  -0.29
    13   1     0.05   0.03  -0.06    -0.28  -0.09   0.43    -0.01  -0.24  -0.28
    14   1     0.08  -0.07  -0.05    -0.25   0.01  -0.23    -0.23   0.31   0.32
    15   6     0.00   0.02   0.01     0.00   0.01   0.01     0.00   0.00   0.01
    16   6    -0.01  -0.01   0.00     0.02  -0.03   0.04     0.02  -0.01   0.02
    17   1     0.02  -0.07  -0.15     0.02  -0.07  -0.13    -0.00  -0.02  -0.04
    18   1    -0.05  -0.15   0.03    -0.05  -0.13   0.03    -0.01  -0.03   0.01
    19   1     0.01   0.01   0.00    -0.31   0.30  -0.06    -0.26   0.21  -0.05
    20   1     0.02   0.01  -0.00    -0.03   0.01  -0.43    -0.01   0.02  -0.34
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1503.6092              1507.2284              1786.0361
 Red. masses --      1.0565                 1.0880                11.4787
 Frc consts  --      1.4074                 1.4562                21.5737
 IR Inten    --     10.4819                 4.6270               214.6699
 RamAct Fr= 1--      5.6319                 4.6877                18.3089
  Dep-P Fr= 1--      0.7415                 0.5311                 0.4019
  Dep-U Fr= 1--      0.8516                 0.6938                 0.5734
 Alpha2 Fr= 1--      0.0008                 0.0199                 0.1347
 Beta2  Fr= 1--      0.7993                 0.5420                 1.7496
 AlphaG Fr= 1--      0.0054                 0.0070                 0.1067
 Gamma2 Fr= 1--      1.9852                -1.0619                 3.3340
 Delta2 Fr= 1--      0.7105                -0.1264                -0.8543
 Raman1 Fr= 1--      22.527                 18.751                 73.235
 ROA1   Fr= 1--     213.312               -105.984                292.729
 CID1   Fr= 1--       9.469                 -5.652                  3.997
 Raman2 Fr= 1--       9.592                  6.504                 20.996
 ROA2   Fr= 1--      41.961                -24.473                 86.851
 CID2   Fr= 1--       4.375                 -3.763                  4.137
 Raman3 Fr= 1--      19.184                 13.008                 41.991
 ROA3   Fr= 1--     213.312               -105.984                292.729
 CID3   Fr= 1--      11.120                 -8.147                  6.971
 RC180  Fr= 1--       0.703                  0.388                  0.147
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.01  -0.01   0.00     0.02  -0.05  -0.02
     2   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.35   0.62   0.31
     3   6     0.00  -0.01   0.01     0.00   0.01  -0.02     0.02  -0.04  -0.03
     4   6    -0.01   0.00   0.01     0.00   0.01  -0.00     0.01  -0.01  -0.00
     5   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.23  -0.40  -0.20
     6   1     0.04  -0.00   0.01     0.07   0.01   0.02     0.01   0.19   0.01
     7   1     0.02  -0.01  -0.03     0.03   0.01  -0.07     0.00   0.04  -0.00
     8   1     0.01   0.10  -0.04    -0.04  -0.14   0.06     0.15  -0.03  -0.04
     9   1    -0.03  -0.01  -0.10     0.04   0.01   0.15    -0.21   0.08   0.14
    10   1     0.03   0.03   0.04    -0.02  -0.04  -0.00    -0.01   0.01  -0.03
    11   6    -0.03   0.01   0.02    -0.00   0.00  -0.00    -0.00   0.00   0.00
    12   1    -0.27  -0.21  -0.05     0.02  -0.03   0.03    -0.01   0.02  -0.01
    13   1     0.31   0.27  -0.26    -0.02   0.00   0.04    -0.00  -0.02  -0.03
    14   1     0.46  -0.27  -0.04    -0.02  -0.02  -0.04     0.00   0.00   0.00
    15   6     0.00   0.00   0.01    -0.01  -0.07  -0.04    -0.00  -0.01  -0.00
    16   6     0.03  -0.02   0.03     0.01  -0.02   0.01    -0.00   0.00   0.00
    17   1     0.00  -0.03  -0.05     0.02   0.25   0.61    -0.01  -0.01   0.02
    18   1    -0.02  -0.04   0.01     0.16   0.64  -0.12     0.00   0.02  -0.01
    19   1    -0.29   0.28  -0.06    -0.09   0.12  -0.03     0.00   0.01   0.00
    20   1    -0.06  -0.02  -0.39    -0.01  -0.02  -0.13    -0.00  -0.00  -0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3005.3964              3015.4558              3025.4316
 Red. masses --      1.0720                 1.0713                 1.0367
 Frc consts  --      5.7047                 5.7392                 5.5907
 IR Inten    --     11.0776                 8.2867                19.7793
 RamAct Fr= 1--    109.7547                36.3341               222.6390
  Dep-P Fr= 1--      0.1584                 0.5174                 0.0034
  Dep-U Fr= 1--      0.2734                 0.6819                 0.0067
 Alpha2 Fr= 1--      1.6609                 0.1650                 4.9089
 Beta2  Fr= 1--      5.0018                 4.1296                 0.2482
 AlphaG Fr= 1--      1.0621                -0.8018                -0.9099
 Gamma2 Fr= 1--     24.0834                 9.8557                -0.7393
 Delta2 Fr= 1--     12.4786                 5.9773                -1.4352
 Raman1 Fr= 1--     439.019                145.336                890.556
 ROA1   Fr= 1--    2711.326               1137.424               -116.895
 CID1   Fr= 1--       6.176                  7.826                 -0.131
 Raman2 Fr= 1--      60.022                 49.555                  2.978
 ROA2   Fr= 1--     478.174                188.719                 -6.261
 CID2   Fr= 1--       7.967                  3.808                 -2.102
 Raman3 Fr= 1--     120.044                 99.109                  5.957
 ROA3   Fr= 1--    2711.326               1137.424               -116.895
 CID3   Fr= 1--      22.586                 11.476                -19.624
 RC180  Fr= 1--      -0.453                  0.364                 -0.987
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00  -0.00  -0.01    -0.01  -0.00  -0.05     0.00   0.00   0.01
     4   6    -0.01   0.01   0.02    -0.02   0.01   0.04     0.00   0.00  -0.00
     5   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   1    -0.00   0.00   0.00    -0.00  -0.00   0.01     0.00   0.00  -0.02
     7   1     0.02   0.00   0.01    -0.02  -0.00  -0.01     0.03   0.00   0.02
     8   1     0.05   0.08   0.18     0.17   0.25   0.59    -0.05  -0.06  -0.16
     9   1    -0.02  -0.06   0.00    -0.05  -0.18   0.01     0.01   0.03  -0.00
    10   1     0.17  -0.09  -0.26     0.30  -0.16  -0.45    -0.01   0.00   0.01
    11   6     0.00   0.00   0.00     0.00  -0.00  -0.01    -0.02  -0.02  -0.03
    12   1     0.01  -0.01  -0.02    -0.10   0.07   0.14    -0.32   0.22   0.47
    13   1    -0.05   0.04  -0.02     0.06  -0.04   0.02     0.42  -0.32   0.19
    14   1    -0.01  -0.03   0.02     0.02   0.04  -0.03     0.20   0.39  -0.27
    15   6    -0.00   0.00   0.02     0.00   0.00   0.00    -0.00  -0.00   0.00
    16   6    -0.01  -0.00  -0.07     0.01  -0.01   0.02    -0.00  -0.00  -0.01
    17   1    -0.00   0.00   0.00    -0.01  -0.03   0.02    -0.00   0.00  -0.00
    18   1     0.01  -0.04  -0.27    -0.00  -0.00  -0.01     0.00  -0.00  -0.03
    19   1    -0.06   0.18   0.84     0.03  -0.07  -0.32    -0.01   0.02   0.11
    20   1     0.12  -0.13  -0.04    -0.15   0.15   0.03     0.01  -0.02  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3026.5859              3030.4155              3036.3373
 Red. masses --      1.0693                 1.0712                 1.0634
 Frc consts  --      5.7713                 5.7957                 5.7762
 IR Inten    --      9.0982                40.8434                21.9400
 RamAct Fr= 1--     18.7540                85.8731               236.9869
  Dep-P Fr= 1--      0.7241                 0.4490                 0.0674
  Dep-U Fr= 1--      0.8400                 0.6197                 0.1264
 Alpha2 Fr= 1--      0.0084                 0.5286                 4.4899
 Beta2  Fr= 1--      2.6254                 8.8696                 4.9914
 AlphaG Fr= 1--      0.0524                 0.0533                 1.2021
 Gamma2 Fr= 1--    -13.5620               -10.8984                16.4626
 Delta2 Fr= 1--     -8.3978                 0.5226                -5.5922
 Raman1 Fr= 1--      75.016                343.492                947.947
 ROA1   Fr= 1--   -1570.685              -1029.521               1401.461
 CID1   Fr= 1--     -20.938                 -2.997                  1.478
 Raman2 Fr= 1--      31.505                106.435                 59.896
 ROA2   Fr= 1--    -258.307               -265.741                439.841
 CID2   Fr= 1--      -8.199                 -2.497                  7.343
 Raman3 Fr= 1--      63.010                212.869                119.793
 ROA3   Fr= 1--   -1570.685              -1029.521               1401.461
 CID3   Fr= 1--     -24.927                 -4.836                 11.699
 RC180  Fr= 1--       0.680                  0.239                 -0.747
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.00   0.01     0.03   0.00   0.00    -0.06  -0.01   0.01
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00   0.02    -0.01  -0.00  -0.04    -0.00  -0.00  -0.01
     4   6    -0.02   0.01   0.03     0.02  -0.01  -0.04     0.00  -0.00  -0.01
     5   8    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   1    -0.00   0.00   0.02    -0.03  -0.01   0.14     0.12   0.03  -0.50
     7   1    -0.23  -0.04  -0.14    -0.28  -0.04  -0.18     0.61   0.09   0.39
     8   1    -0.06  -0.09  -0.21     0.14   0.21   0.50     0.05   0.07   0.17
     9   1     0.02   0.06  -0.00    -0.05  -0.18   0.01    -0.02  -0.06   0.00
    10   1     0.21  -0.12  -0.32    -0.29   0.16   0.44    -0.05   0.03   0.08
    11   6     0.01  -0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    12   1    -0.02   0.02   0.03     0.01  -0.01  -0.02     0.01  -0.01  -0.01
    13   1    -0.04   0.03  -0.02     0.07  -0.06   0.04     0.00  -0.00   0.00
    14   1    -0.02  -0.04   0.02     0.04   0.09  -0.06     0.01   0.01  -0.01
    15   6    -0.01  -0.03  -0.05    -0.00  -0.02  -0.01    -0.00  -0.01  -0.03
    16   6    -0.00   0.00  -0.01    -0.01   0.01  -0.01    -0.01   0.01  -0.00
    17   1     0.08   0.28  -0.16     0.05   0.17  -0.09     0.01   0.05  -0.03
    18   1    -0.02   0.10   0.74    -0.01   0.03   0.25    -0.01   0.05   0.34
    19   1    -0.01   0.03   0.12    -0.01   0.03   0.11    -0.01   0.01   0.05
    20   1     0.05  -0.06  -0.01     0.18  -0.19  -0.03     0.09  -0.10  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3065.3812              3070.1413              3081.2224
 Red. masses --      1.0992                 1.0927                 1.0999
 Frc consts  --      6.0856                 6.0682                 6.1525
 IR Inten    --     14.3802                42.2272                27.3365
 RamAct Fr= 1--     81.7856               167.1558                81.1386
  Dep-P Fr= 1--      0.6867                 0.1548                 0.4998
  Dep-U Fr= 1--      0.8142                 0.2681                 0.6665
 Alpha2 Fr= 1--      0.0910                 2.5527                 0.4010
 Beta2  Fr= 1--     11.0987                 7.4693                 9.0133
 AlphaG Fr= 1--      0.0184                 0.2808                -0.4653
 Gamma2 Fr= 1--     67.6527               -45.8995               -35.7035
 Delta2 Fr= 1--     35.1248               -26.5472               -26.6477
 Raman1 Fr= 1--     327.142                668.623                324.555
 ROA1   Fr= 1--    7618.649              -5255.861              -4280.263
 CID1   Fr= 1--      23.288                 -7.861                -13.188
 Raman2 Fr= 1--     133.185                 89.632                108.160
 ROA2   Fr= 1--    1342.666               -889.210               -643.702
 CID2   Fr= 1--      10.081                 -9.921                 -5.951
 Raman3 Fr= 1--     266.369                179.263                216.320
 ROA3   Fr= 1--    7618.649              -5255.861              -4280.263
 CID3   Fr= 1--      28.602                -29.319                -19.787
 RC180  Fr= 1--       0.628                 -0.464                  0.333
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.05    -0.01  -0.00  -0.01    -0.01   0.00  -0.07
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00   0.01     0.01  -0.00  -0.01    -0.00  -0.00   0.00
     5   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     6   1    -0.11  -0.03   0.40    -0.03  -0.01   0.12    -0.19  -0.05   0.70
     7   1     0.29   0.04   0.17     0.11   0.02   0.07     0.32   0.05   0.18
     8   1    -0.01  -0.01  -0.03     0.01   0.01   0.04     0.00   0.01   0.02
     9   1     0.01   0.02  -0.00    -0.00  -0.00  -0.00    -0.01  -0.05   0.01
    10   1     0.05  -0.02  -0.07    -0.09   0.05   0.13    -0.00  -0.00   0.00
    11   6     0.01   0.00  -0.00    -0.01   0.00   0.01    -0.00  -0.00   0.00
    12   1    -0.03   0.02   0.04     0.08  -0.06  -0.12     0.02  -0.01  -0.02
    13   1    -0.02   0.01  -0.01     0.06  -0.05   0.03    -0.01   0.00  -0.00
    14   1    -0.02  -0.03   0.02     0.03   0.07  -0.04     0.02   0.04  -0.03
    15   6    -0.01  -0.05   0.05    -0.01  -0.03   0.01     0.01   0.03  -0.04
    16   6    -0.02   0.02   0.02     0.05  -0.05  -0.03     0.00  -0.00  -0.01
    17   1     0.17   0.61  -0.30     0.09   0.33  -0.16    -0.11  -0.41   0.20
    18   1    -0.00  -0.05  -0.25    -0.00   0.00   0.05    -0.01   0.05   0.31
    19   1     0.01  -0.03  -0.18    -0.01   0.04   0.22    -0.00   0.02   0.08
    20   1     0.22  -0.24  -0.03    -0.57   0.60   0.09     0.00  -0.01  -0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3087.2011              3092.6121              3105.7697
 Red. masses --      1.1013                 1.1018                 1.0951
 Frc consts  --      6.1842                 6.2090                 6.2239
 IR Inten    --     40.7741                32.2758                19.3196
 RamAct Fr= 1--     79.4983                52.1073                98.6534
  Dep-P Fr= 1--      0.4313                 0.6264                 0.4308
  Dep-U Fr= 1--      0.6027                 0.7703                 0.6021
 Alpha2 Fr= 1--      0.5244                 0.1173                 0.6522
 Beta2  Fr= 1--      7.9856                 6.6899                 9.9005
 AlphaG Fr= 1--      0.4318                -0.2463                 0.2405
 Gamma2 Fr= 1--     23.3537               -14.7061                 4.3299
 Delta2 Fr= 1--     15.9584                -7.8783                 7.7607
 Raman1 Fr= 1--     317.993                208.429                394.614
 ROA1   Fr= 1--    2752.625              -1663.889                664.012
 CID1   Fr= 1--       8.656                 -7.983                  1.683
 Raman2 Fr= 1--      95.827                 80.279                118.806
 ROA2   Fr= 1--     432.821               -289.919                 41.832
 CID2   Fr= 1--       4.517                 -3.611                  0.352
 Raman3 Fr= 1--     191.654                160.558                237.611
 ROA3   Fr= 1--    2752.625              -1663.889                664.012
 CID3   Fr= 1--      14.362                -10.363                  2.795
 RC180  Fr= 1--       0.205                  0.541                  0.204
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.01   0.00     0.00   0.01   0.00    -0.03  -0.08  -0.01
     4   6    -0.01   0.01   0.01    -0.01   0.00   0.01     0.00  -0.00  -0.00
     5   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   1     0.00   0.00  -0.01     0.01   0.00  -0.04    -0.01  -0.00   0.02
     7   1    -0.01  -0.00  -0.01    -0.02  -0.00  -0.01     0.00   0.00   0.00
     8   1    -0.00  -0.00  -0.00    -0.01  -0.02  -0.05     0.07   0.09   0.24
     9   1     0.02   0.08  -0.01    -0.03  -0.11   0.01     0.25   0.91  -0.11
    10   1     0.09  -0.05  -0.13     0.06  -0.03  -0.10    -0.01   0.00   0.01
    11   6    -0.07   0.05   0.02    -0.02  -0.06   0.07     0.00  -0.01   0.01
    12   1     0.32  -0.23  -0.50     0.20  -0.15  -0.28    -0.00   0.00   0.01
    13   1     0.54  -0.40   0.27    -0.27   0.18  -0.11    -0.07   0.05  -0.03
    14   1    -0.02  -0.00   0.02     0.33   0.64  -0.42     0.05   0.09  -0.06
    15   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   6    -0.01   0.01   0.00    -0.00   0.01   0.01    -0.00   0.00  -0.00
    17   1    -0.01  -0.02   0.01     0.00   0.02  -0.01    -0.01  -0.02   0.01
    18   1    -0.00  -0.00  -0.01    -0.00  -0.01  -0.04    -0.00   0.00   0.02
    19   1     0.00  -0.01  -0.05     0.00  -0.01  -0.06    -0.00   0.00   0.01
    20   1     0.09  -0.10  -0.01     0.05  -0.05  -0.01     0.01  -0.01  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   112.08882 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   678.37843 902.345921330.83938
           X            0.98846   0.15085   0.01372
           Y           -0.15068   0.98850  -0.01295
           Z           -0.01552   0.01074   0.99982
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.12768     0.09599     0.06508
 Rotational constants (GHZ):           2.66038     2.00005     1.35609
 Zero-point vibrational energy     468544.6 (Joules/Mol)
                                  111.98485 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     85.29   105.50   364.93   398.71   486.32
          (Kelvin)            546.45   589.51   669.60   697.22   750.40
                              890.15  1040.23  1152.60  1191.80  1270.77
                             1312.37  1381.39  1404.89  1423.46  1479.74
                             1529.59  1603.34  1642.96  1661.53  1722.77
                             1782.02  1801.96  1836.83  1881.26  1933.52
                             1937.31  1976.11  1981.25  1996.59  2039.58
                             2085.85  2120.49  2153.18  2157.22  2163.36
                             2168.57  2569.71  4324.10  4338.57  4352.92
                             4354.58  4360.09  4368.61  4410.40  4417.25
                             4433.19  4441.79  4449.58  4468.51
 
 Zero-point correction=                           0.178459 (Hartree/Particle)
 Thermal correction to Energy=                    0.186435
 Thermal correction to Enthalpy=                  0.187379
 Thermal correction to Gibbs Free Energy=         0.145731
 Sum of electronic and zero-point Energies=           -349.188706
 Sum of electronic and thermal Energies=              -349.180730
 Sum of electronic and thermal Enthalpies=            -349.179786
 Sum of electronic and thermal Free Energies=         -349.221434
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  116.990             30.473             87.657
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.058
 Rotational               0.889              2.981             28.190
 Vibrational            115.212             24.511             19.409
 Vibration     1          0.597              1.974              4.481
 Vibration     2          0.599              1.967              4.062
 Vibration     3          0.665              1.757              1.705
 Vibration     4          0.678              1.716              1.551
 Vibration     5          0.718              1.600              1.222
 Vibration     6          0.750              1.513              1.040
 Vibration     7          0.774              1.449              0.928
 Vibration     8          0.823              1.327              0.751
 Vibration     9          0.841              1.284              0.698
 Vibration    10          0.877              1.202              0.606
 Vibration    11          0.979              0.992              0.419
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.930314D-67        -67.031370       -154.345434
 Total V=0       0.113266D+16         15.054100         34.663346
 Vib (Bot)       0.617307D-80        -80.209499       -184.689196
 Vib (Bot)    1  0.348374D+01          0.542045          1.248105
 Vib (Bot)    2  0.281132D+01          0.448911          1.033655
 Vib (Bot)    3  0.768156D+00         -0.114550         -0.263762
 Vib (Bot)    4  0.694836D+00         -0.158118         -0.364080
 Vib (Bot)    5  0.550044D+00         -0.259602         -0.597756
 Vib (Bot)    6  0.476122D+00         -0.322282         -0.742081
 Vib (Bot)    7  0.431885D+00         -0.364632         -0.839595
 Vib (Bot)    8  0.363831D+00         -0.439100         -1.011066
 Vib (Bot)    9  0.343763D+00         -0.463740         -1.067801
 Vib (Bot)   10  0.309044D+00         -0.509979         -1.174271
 Vib (Bot)   11  0.236700D+00         -0.625802         -1.440962
 Vib (V=0)       0.751574D+02          1.875971          4.319584
 Vib (V=0)    1  0.401943D+01          0.604165          1.391141
 Vib (V=0)    2  0.335544D+01          0.525749          1.210583
 Vib (V=0)    3  0.141655D+01          0.151232          0.348225
 Vib (V=0)    4  0.135604D+01          0.132271          0.304565
 Vib (V=0)    5  0.124334D+01          0.094589          0.217798
 Vib (V=0)    6  0.119043D+01          0.075704          0.174314
 Vib (V=0)    7  0.116070D+01          0.064720          0.149024
 Vib (V=0)    8  0.111836D+01          0.048583          0.111866
 Vib (V=0)    9  0.110677D+01          0.044059          0.101448
 Vib (V=0)   10  0.108780D+01          0.036549          0.084157
 Vib (V=0)   11  0.105320D+01          0.022510          0.051830
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.466442D+08          7.668797         17.658058
 Rotational      0.323096D+06          5.509331         12.685703
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000016844    0.000005898    0.000004866
      2        6          -0.000000036    0.000001398   -0.000010882
      3        6           0.000000250   -0.000002561    0.000005529
      4        6          -0.000036233   -0.000059044   -0.000016926
      5        8           0.000000691    0.000000047    0.000001307
      6        1          -0.000000040    0.000000651   -0.000001084
      7        1           0.000000037    0.000001167    0.000000078
      8        1           0.000000274   -0.000002509    0.000008812
      9        1          -0.000000328   -0.000000156    0.000002489
     10        1          -0.000002437    0.000000566    0.000001887
     11        6           0.000000313    0.000003831   -0.000002790
     12        1           0.000004578    0.000000952    0.000003705
     13        1           0.000006399    0.000003417    0.000001856
     14        1           0.000002597    0.000000364    0.000002843
     15        6          -0.000001607   -0.000020678    0.000012305
     16        6           0.000047498    0.000072353    0.000001197
     17        1          -0.000000488    0.000000738   -0.000000758
     18        1          -0.000006807   -0.000010457   -0.000006430
     19        1           0.000002656    0.000003783   -0.000006851
     20        1          -0.000000474    0.000000241   -0.000001152
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000072353 RMS     0.000015363
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.906392D+02  0.779138D-01 -0.184056D+01
      2   0.779138D-01  0.896384D+02  0.828396D+00
      3  -0.184056D+01  0.828396D+00  0.750820D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.329705D+01  0.277767D+01 -0.821372D+01
      2  -0.130501D+02  0.517040D+01 -0.140857D+02
      3   0.157775D+02  0.934420D+01  0.532492D+00
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.433660D+02 -0.202051D+02 -0.184127D+02
      2   0.257886D+02  0.263734D+02  0.171102D+01
      3   0.175775D+02 -0.616834D+01  0.167017D+02
      4   0.632633D+01 -0.611282D+01  0.135996D+02
      5  -0.162496D+02  0.997396D+01 -0.247840D+02
      6   0.962562D+01 -0.472397D+01  0.164014D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.486235D+01 -0.234151D+01 -0.179844D+01 -0.111582D+01  0.254047D+01
      2  -0.234151D+01 -0.141026D-01 -0.395042D+00  0.254047D+01  0.238061D+01
      3  -0.179844D+01 -0.395042D+00 -0.261881D+01 -0.453192D+00 -0.167059D+01
                 6             7             8             9            10 
      1  -0.453192D+00 -0.251851D+01 -0.511536D+00 -0.342311D+01  0.861322D-01
      2  -0.167059D+01 -0.511536D+00 -0.106912D+01 -0.756862D+00  0.282691D+01
      3  -0.147178D+00 -0.342311D+01 -0.756862D+00  0.478334D+01  0.144827D+00
                11            12            13            14            15 
      1   0.282691D+01  0.144827D+00  0.160517D+01 -0.414069D+01 -0.653027D+00
      2  -0.356390D+01 -0.120400D+01 -0.414069D+01  0.173017D+00  0.311658D+01
      3  -0.120400D+01  0.104050D+01 -0.653027D+00  0.311658D+01  0.931329D+00
                16            17            18            19            20 
      1   0.116021D+01 -0.174477D+01  0.611255D+00  0.221271D+01 -0.276162D+01
      2  -0.174477D+01  0.279259D+01  0.155658D+01 -0.276162D+01  0.330248D+01
      3   0.611255D+00  0.155658D+01 -0.245034D+00  0.159853D+01 -0.879601D+00
                21            22            23            24            25 
      1   0.159853D+01 -0.319851D+01  0.310838D+01 -0.122614D+01  0.987879D+00
      2  -0.879601D+00  0.310838D+01  0.537248D+01 -0.192264D+01 -0.839121D+00
      3  -0.206367D+01 -0.122614D+01 -0.192264D+01 -0.184404D+01 -0.133997D+01
                26            27            28            29            30 
      1  -0.839121D+00 -0.133997D+01 -0.206416D+01  0.254606D+01 -0.144109D+01
      2  -0.118628D+01 -0.187448D+01  0.254606D+01 -0.184569D+01  0.296844D+01
      3  -0.187448D+01 -0.371692D+01 -0.144109D+01  0.296844D+01  0.272435D+01
                31            32            33            34            35 
      1   0.378105D+01 -0.217742D+01  0.292009D+01 -0.175396D+01  0.379375D+01
      2  -0.217742D+01 -0.266854D+01  0.102931D+01  0.379375D+01  0.177391D+01
      3   0.292009D+01  0.102931D+01 -0.721626D+00  0.294202D+01 -0.106617D+01
                36            37            38            39            40 
      1   0.294202D+01  0.519711D+01 -0.437893D+01 -0.159268D+01 -0.395587D+01
      2  -0.106617D+01 -0.437893D+01  0.367217D+01  0.802874D+00  0.503579D+01
      3  -0.385474D+01 -0.159268D+01  0.802874D+00  0.730812D+00  0.102542D+01
                41            42            43            44            45 
      1   0.503579D+01  0.102542D+01 -0.218187D+01  0.154452D+01  0.193924D+01
      2  -0.101814D+02 -0.298825D+01  0.154452D+01 -0.302862D+01 -0.370860D+01
      3  -0.298825D+01 -0.203095D+01  0.193924D+01 -0.370860D+01 -0.273525D+01
                46            47            48            49            50 
      1   0.214014D+01  0.701784D+00 -0.152026D+01  0.288644D+00  0.254871D+00
      2   0.701784D+00  0.506684D+00 -0.244456D+00  0.254871D+00  0.730305D-01
      3  -0.152026D+01 -0.244456D+00  0.149173D+01  0.478331D-01 -0.963434D+00
                51            52            53            54            55 
      1   0.478331D-01 -0.242510D+01 -0.222136D+00  0.293413D+01  0.874190D+01
      2  -0.963434D+00 -0.222136D+00 -0.167047D+01  0.103231D+01  0.190351D+01
      3   0.379149D+00  0.293413D+01  0.103231D+01 -0.695969D+01  0.233032D+01
                56            57            58            59            60 
      1   0.190351D+01  0.233032D+01  0.799401D+00  0.103534D+01  0.269175D+00
      2   0.174118D+01  0.375748D+00  0.103534D+01  0.795576D+00  0.839943D+00
      3   0.375748D+00  0.175992D+01  0.269175D+00  0.839943D+00  0.329097D+00
                61            62            63            64            65 
      1   0.371605D+01  0.619092D+00  0.246051D+01  0.689371D+00  0.682605D+00
      2   0.619092D+00  0.144101D+01  0.798669D+00  0.682605D+00 -0.612286D-01
      3   0.246051D+01  0.798669D+00  0.148003D+01  0.112231D+01  0.197246D+00
                66            67            68            69            70 
      1   0.112231D+01  0.154632D+01 -0.203019D+00  0.149948D+00  0.147283D+01
      2   0.197246D+00 -0.203019D+00  0.742974D+00  0.135773D+01  0.224541D+00
      3   0.190612D+01  0.149948D+00  0.135773D+01  0.174793D+01  0.117051D+01
                71            72            73            74            75 
      1   0.224541D+00  0.117051D+01 -0.119986D+01 -0.119535D+01  0.848847D-01
      2   0.123478D+01  0.877402D+00 -0.119535D+01 -0.137271D+01  0.491381D+00
      3   0.877402D+00  0.821262D+01  0.848847D-01  0.491381D+00 -0.258648D+00
                76            77            78            79            80 
      1  -0.162627D+01 -0.147294D+01  0.394022D+00 -0.901714D-01  0.302338D+00
      2  -0.147294D+01 -0.811860D+01  0.225477D+01  0.302338D+00  0.895981D+00
      3   0.394022D+00  0.225477D+01 -0.158036D+01 -0.157326D+00 -0.124097D+01
                81            82            83            84            85 
      1  -0.157326D+00 -0.363142D+01  0.405348D+00  0.259081D+01  0.653010D+00
      2  -0.124097D+01  0.405348D+00 -0.781421D+00 -0.987823D+00 -0.815118D+00
      3   0.138274D+01  0.259081D+01 -0.987823D+00 -0.289278D+01 -0.107017D+01
                86            87            88            89            90 
      1  -0.815118D+00 -0.107017D+01  0.302595D+01 -0.100677D+01 -0.306178D+01
      2   0.150835D+01  0.126364D+01 -0.100677D+01  0.118098D+01  0.122135D+01
      3   0.126364D+01  0.152717D+01 -0.306178D+01  0.122135D+01  0.595534D+01
                91            92            93            94            95 
      1   0.304765D+01 -0.187067D+01  0.126590D+01 -0.300085D+01  0.262142D+01
      2  -0.187067D+01  0.189690D+01 -0.374329D+01  0.262142D+01  0.280346D+01
      3   0.126590D+01 -0.374329D+01 -0.137429D+01 -0.440386D+01 -0.128094D+01
                96            97            98            99           100 
      1  -0.440386D+01  0.639893D+00 -0.449001D+01 -0.111201D+01  0.172915D+01
      2  -0.128094D+01 -0.449001D+01 -0.194436D+01  0.164318D+01 -0.215685D+00
      3   0.109240D+01 -0.111201D+01  0.164318D+01  0.255502D+01 -0.108170D+01
               101           102           103           104           105 
      1  -0.215685D+00 -0.108170D+01 -0.359636D+00  0.274664D-01  0.595928D+00
      2   0.959675D+00  0.108096D+01  0.274664D-01 -0.202216D+01 -0.138300D+01
      3   0.108096D+01  0.204622D+01  0.595928D+00 -0.138300D+01 -0.169915D+01
               106           107           108           109           110 
      1  -0.148965D+01  0.492528D+00  0.640506D+00 -0.743491D+01  0.167147D+01
      2   0.492528D+00 -0.160243D+01 -0.201035D+01  0.167147D+01 -0.170877D+01
      3   0.640506D+00 -0.201035D+01 -0.509490D+01 -0.246914D+01  0.926031D+00
               111           112           113           114           115 
      1  -0.246914D+01  0.365774D+01 -0.189534D+01  0.159400D+01 -0.234094D+01
      2   0.926031D+00 -0.189534D+01  0.179903D+01 -0.664309D+00  0.975290D+00
      3  -0.155053D+01  0.159400D+01 -0.664309D+00  0.111966D+01 -0.196823D+01
               116           117           118           119           120 
      1   0.975290D+00 -0.196823D+01 -0.332968D+01 -0.215344D+01  0.699663D+00
      2  -0.465009D+00  0.506566D+00 -0.215344D+01 -0.236044D+01  0.966316D+00
      3   0.506566D+00 -0.196028D+01  0.699663D+00  0.966316D+00 -0.627575D+00
               121           122           123           124           125 
      1  -0.264620D+01 -0.334792D+01  0.107908D+01  0.183800D+01  0.169971D+01
      2  -0.334792D+01 -0.596641D+01  0.151097D+01  0.169971D+01  0.249611D+01
      3   0.107908D+01  0.151097D+01 -0.152550D+01 -0.867088D+00 -0.166519D+01
               126           127           128           129           130 
      1  -0.867088D+00  0.227893D+01  0.219128D+01  0.165122D+01  0.235930D+01
      2  -0.166519D+01  0.219128D+01 -0.278250D+01  0.660495D+00 -0.324213D+01
      3   0.159616D+01  0.165122D+01  0.660495D+00  0.635743D-01  0.769822D+00
               131           132           133           134           135 
      1  -0.324213D+01  0.769822D+00  0.175893D+01  0.874480D+00  0.534378D-01
      2  -0.477541D+01  0.219608D+01  0.874480D+00  0.330126D+01 -0.264933D+01
      3   0.219608D+01 -0.165690D+01  0.534378D-01 -0.264933D+01 -0.636050D+01
               136           137           138           139           140 
      1   0.144747D+00 -0.376232D+01 -0.785028D+00 -0.375883D+01  0.406299D+01
      2  -0.376232D+01  0.398584D+01 -0.106344D+01  0.406299D+01  0.566411D+00
      3  -0.785028D+00 -0.106344D+01 -0.240320D+00 -0.981025D+00 -0.119991D+01
               141           142           143           144           145 
      1  -0.981025D+00 -0.123765D+01 -0.817552D+00 -0.210586D+00  0.119867D+01
      2  -0.119991D+01 -0.817552D+00 -0.241326D+01  0.146271D+01  0.170292D+01
      3   0.173619D+01 -0.210586D+00  0.146271D+01  0.629179D+01 -0.754682D+00
               146           147           148           149           150 
      1   0.170292D+01 -0.754682D+00  0.166893D+01  0.240405D+01 -0.415120D+00
      2   0.219933D+01 -0.408735D+00  0.240405D+01  0.103587D+02 -0.191385D+01
      3  -0.408735D+00  0.256571D+00 -0.415120D+00 -0.191385D+01  0.138187D+01
               151           152           153           154           155 
      1  -0.109903D+01 -0.731124D+00  0.511267D+00 -0.261509D+00  0.145041D+00
      2  -0.731124D+00 -0.319481D+01  0.213015D+01  0.145041D+00  0.266204D+00
      3   0.511267D+00  0.213015D+01 -0.679987D+00  0.931442D+00 -0.108404D+00
               156           157           158           159           160 
      1   0.931442D+00  0.293312D-01  0.432286D+00  0.140431D-01  0.153155D+01
      2  -0.108404D+00  0.432286D+00  0.186892D+01  0.140281D+01  0.101748D+00
      3  -0.688346D-01  0.140431D-01  0.140281D+01  0.131612D+01  0.405240D+00
               161           162           163           164           165 
      1   0.101748D+00  0.405240D+00  0.339650D+00  0.399696D+00 -0.882881D+00
      2   0.206721D+01  0.267547D+01  0.399696D+00 -0.257685D+00  0.129742D+00
      3   0.267547D+01  0.768826D+01 -0.882881D+00  0.129742D+00  0.347815D+00
               166           167           168           169           170 
      1  -0.163312D+00 -0.595714D+00  0.258243D-01 -0.158837D+01 -0.260833D+00
      2  -0.595714D+00 -0.526580D+00 -0.887414D+00 -0.260833D+00 -0.127639D+01
      3   0.258243D-01 -0.887414D+00 -0.932263D+00 -0.663939D+00  0.227572D+00
               171           172           173           174           175 
      1  -0.663939D+00 -0.502227D+01  0.350291D+01 -0.940013D-01  0.343641D+01
      2   0.227572D+00  0.350291D+01 -0.378202D+01  0.435558D+00 -0.363278D+01
      3  -0.785071D+01 -0.940013D-01  0.435558D+00 -0.672149D+00  0.317338D+00
               176           177           178           179           180 
      1  -0.363278D+01  0.317338D+00  0.593991D+00 -0.414493D-02 -0.864070D+00
      2   0.581655D+01 -0.975015D-01 -0.414493D-02  0.666917D+00  0.839997D+00
      3  -0.975015D-01  0.577044D+00 -0.864070D+00  0.839997D+00 -0.487288D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.117383D+01  0.554214D+00  0.106585D+01 -0.969427D+00 -0.829500D+00
      2  -0.513762D+01 -0.138235D+01 -0.640272D+01  0.119415D+01 -0.178350D+01
      3   0.486966D+01 -0.884196D+01 -0.332562D+01 -0.349478D+01 -0.286771D+01
                 6             7             8             9            10 
      1  -0.425222D+01  0.131179D+01  0.512358D+01 -0.327306D+01  0.526794D+01
      2   0.207537D+01 -0.120649D+02 -0.336740D+01  0.842654D+01 -0.160786D+02
      3   0.481394D+01 -0.419526D+01  0.188032D+01 -0.521652D+00 -0.557586D+01
                11            12            13            14            15 
      1   0.461234D+01 -0.268303D+01  0.471951D+01 -0.184998D+01  0.745242D+01
      2  -0.832376D+01  0.333042D+01 -0.541557D+01  0.737371D+01 -0.322813D+01
      3  -0.759290D+01  0.277488D+01  0.361589D+00  0.220662D+01 -0.891338D+01
                16            17            18            19            20 
      1   0.561207D+00  0.142051D+02  0.471808D+00 -0.367987D+01  0.149819D+01
      2  -0.130264D+02 -0.541320D+01  0.113130D+02 -0.440813D+01  0.716115D+01
      3  -0.272519D+01 -0.910023D+01  0.122452D+01  0.152136D+01  0.114498D+01
                21            22            23            24            25 
      1  -0.467093D+01  0.220978D+01  0.518009D+01 -0.834575D+01 -0.403418D+01
      2   0.367136D+01  0.791305D+01 -0.541451D+01  0.482604D+01 -0.951496D+01
      3  -0.209466D+01  0.714296D+01 -0.626338D+01  0.289899D+01 -0.324908D+01
                26            27            28            29            30 
      1  -0.300388D+01 -0.649227D+01  0.261691D+01 -0.898587D+00  0.940719D-01
      2   0.619621D+01 -0.367953D-01  0.833190D+01 -0.819528D+01  0.157596D+01
      3   0.372049D+01  0.134678D+01  0.456088D+01 -0.743559D+01  0.720100D+01
                31            32            33            34            35 
      1  -0.142609D+01  0.761063D+00 -0.159383D+01  0.112328D+01  0.618095D+01
      2  -0.126985D+02 -0.127480D+01  0.178225D+01 -0.114852D+01 -0.142337D+01
      3  -0.118167D+00 -0.448944D+01  0.231167D+01  0.978097D+01  0.193965D+01
                36            37            38            39            40 
      1   0.904975D+00 -0.383872D+01 -0.201475D+01  0.455444D+01  0.814914D+00
      2   0.265471D+01  0.195600D+01  0.454549D+01  0.445383D+01  0.351836D+01
      3  -0.312473D+01 -0.386678D+00 -0.241344D+01 -0.403897D+00  0.690921D+01
                41            42            43            44            45 
      1   0.378654D+00 -0.101996D+02  0.114147D+01 -0.268126D+01 -0.404595D+01
      2  -0.749026D+01 -0.406671D+01  0.404489D+01 -0.126097D+01 -0.863510D+01
      3   0.118223D+02  0.341682D+01  0.492643D+01  0.542988D+01  0.207431D+01
                46            47            48            49            50 
      1   0.138719D+01  0.276756D+00 -0.125298D+01  0.371497D+00 -0.734350D+00
      2  -0.276400D+01 -0.945916D+00  0.419223D+01 -0.875733D-01 -0.508140D+00
      3   0.189319D-01 -0.129185D+01 -0.656964D+00  0.142766D+01  0.134798D+01
                51            52            53            54            55 
      1  -0.739352D+00 -0.285793D+01  0.154779D+01  0.582194D+01 -0.330218D+01
      2   0.206254D+00  0.443310D+01  0.339056D+01 -0.154787D+02  0.958141D+01
      3   0.129080D+01 -0.659686D+00  0.429907D+01 -0.258007D+00  0.591578D+01
                56            57            58            59            60 
      1  -0.883963D+00 -0.152868D+01  0.219930D+00  0.895112D+00 -0.936737D+00
      2   0.250569D+01  0.609230D+01  0.310278D+00  0.598098D+00  0.365492D+00
      3  -0.294555D+01  0.141941D+01  0.183552D+00 -0.127907D+01 -0.190039D+01
                61            62            63            64            65 
      1  -0.268537D+01 -0.187940D+00 -0.128668D+01  0.132125D+01  0.133130D+01
      2   0.628592D+01  0.314920D+01  0.421248D+01  0.266157D+00 -0.157689D+01
      3   0.333559D+01 -0.287454D+01  0.963226D+00 -0.422580D-01 -0.238510D+01
                66            67            68            69            70 
      1   0.336749D+01 -0.333908D+00  0.360994D+01  0.348616D+01  0.206313D+01
      2  -0.306630D+01 -0.151642D+01 -0.353286D+00 -0.132202D+01 -0.351922D+01
      3  -0.181561D+01 -0.927867D-01  0.708388D-01 -0.726898D+00 -0.994347D+00
                71            72            73            74            75 
      1   0.506280D+01  0.944988D+01 -0.142851D+01 -0.195939D+01 -0.112822D+00
      2  -0.651392D+00 -0.418152D+01  0.943316D+00  0.139948D+01  0.128192D+01
      3  -0.672363D+00 -0.241779D+01  0.136403D+01 -0.132252D+00  0.826698D+00
                76            77            78            79            80 
      1  -0.163175D+01 -0.802199D+01 -0.130625D+01  0.725245D+00  0.104378D+01
      2   0.281206D+01  0.143205D+01 -0.134060D+00 -0.113390D+01 -0.138073D+00
      3   0.511323D+01  0.591255D+00 -0.212584D+00  0.425285D+00  0.248840D+00
                81            82            83            84            85 
      1  -0.252915D+00  0.485840D-01 -0.138260D+01 -0.679968D-01 -0.276210D+00
      2   0.507949D-02 -0.396516D+00  0.122210D+01  0.334563D+01  0.318822D+00
      3   0.130583D+00  0.202067D+00 -0.284867D+01 -0.185075D+01 -0.127411D+00
                86            87            88            89            90 
      1   0.107013D+01 -0.649151D+00  0.258324D+00  0.236887D+01 -0.468151D+00
      2  -0.340406D+00 -0.836495D+00 -0.214011D+01 -0.320582D+00 -0.598345D+01
      3   0.340631D+01  0.213564D+01 -0.218419D+01  0.310906D+01  0.237236D+01
                91            92            93            94            95 
      1   0.193035D+01 -0.595468D+01  0.169571D+01 -0.821799D+01 -0.421567D+01
      2  -0.177036D+01  0.109322D+02  0.766517D+01  0.123120D+02  0.481344D+01
      3  -0.927501D+01  0.383277D+01 -0.124446D+02  0.125485D+02  0.493706D+01
                96            97            98            99           100 
      1  -0.169752D+00  0.305187D+01  0.479988D+01  0.171049D+01 -0.807358D+00
      2  -0.612762D+01  0.353991D+00 -0.698270D+01 -0.787466D+01  0.580719D+01
      3   0.129342D+01 -0.132037D+02 -0.571290D+00  0.485483D+01 -0.350136D+01
               101           102           103           104           105 
      1  -0.457769D+00  0.178800D+01  0.550884D+00  0.525014D+00 -0.206005D+01
      2  -0.293987D+01 -0.526898D+01 -0.277130D+01  0.370769D+01  0.479492D+01
      3   0.181543D+01  0.385733D+01  0.214601D+01 -0.465916D+01 -0.423616D+01
               106           107           108           109           110 
      1   0.650857D+00  0.108620D+01 -0.439292D+01 -0.357666D+01  0.283437D+01
      2  -0.560538D+01  0.540349D+01  0.132255D+02  0.197076D+01 -0.138553D+01
      3   0.381262D+01 -0.422484D+01 -0.619929D+01  0.965983D+01 -0.825493D+01
               111           112           113           114           115 
      1  -0.152046D+01  0.236640D+01 -0.237150D+01  0.285904D+00 -0.238289D+01
      2   0.487088D+01 -0.225173D+01  0.844991D+00 -0.288226D+01  0.178420D+01
      3   0.468226D+01 -0.614599D+01  0.752188D+01 -0.270144D+01  0.459662D+01
               116           117           118           119           120 
      1   0.206369D+01 -0.164834D+01  0.179690D+01  0.240808D+01 -0.197198D+01
      2  -0.752659D+00  0.492116D+01 -0.237413D+01 -0.351038D+01  0.297664D+01
      3  -0.284381D+01  0.274021D+01 -0.183450D+01 -0.558083D+01  0.206425D+01
               121           122           123           124           125 
      1   0.297992D+01  0.455297D+01 -0.490950D+01 -0.152066D+01 -0.195778D+01
      2  -0.344917D+01 -0.503499D+01  0.538612D+01  0.120984D+01  0.457076D+01
      3  -0.355357D+01 -0.129932D+02  0.308365D+01  0.181104D+01  0.531753D+01
               126           127           128           129           130 
      1   0.336952D+01 -0.250549D+01 -0.323746D+01 -0.147888D+00 -0.282494D+01
      2  -0.482032D+01  0.134836D+01  0.281686D+01  0.233235D+01  0.891155D+00
      3  -0.362139D+01  0.461923D+01  0.660851D+01  0.324539D+01  0.126842D+02
               131           132           133           134           135 
      1  -0.795611D+01  0.220087D+01  0.108376D+01  0.107315D+02  0.135184D+02
      2   0.231565D+01 -0.625197D+00 -0.424339D+01 -0.182912D+01 -0.388364D+01
      3  -0.495410D+01 -0.448531D+00  0.318779D+01 -0.123568D+01  0.100361D+01
               136           137           138           139           140 
      1   0.375083D+01 -0.105411D-01  0.107148D+01 -0.867865D+00  0.443915D+01
      2   0.194423D+01 -0.198258D+01  0.225604D+01 -0.149046D+01  0.398836D+01
      3  -0.816872D+01 -0.660646D+01 -0.357026D+01  0.252676D+00  0.877157D+01
               141           142           143           144           145 
      1  -0.531969D+01  0.566266D+00  0.155741D+01 -0.112113D+02  0.196031D+01
      2  -0.226071D+01 -0.328855D+01 -0.272787D+01 -0.515442D+01 -0.307897D+00
      3  -0.238202D+01 -0.359487D+01 -0.387739D+01  0.181207D+01  0.188628D+01
               146           147           148           149           150 
      1   0.175738D+01 -0.127390D+01  0.146906D+01  0.621453D+01 -0.591210D+01
      2  -0.107638D+01  0.111801D+01 -0.587996D-01 -0.213700D+01  0.150208D+01
      3   0.305401D+00 -0.141647D+01  0.489866D+01 -0.248730D+01  0.342626D+00
               151           152           153           154           155 
      1  -0.115264D+01 -0.432764D+01  0.216139D+01 -0.206962D+01  0.191269D+00
      2  -0.903405D+00  0.152878D+01 -0.451984D+00  0.603746D+00 -0.146535D+00
      3  -0.322639D+01  0.996583D+00 -0.243507D+00 -0.111347D+01 -0.129041D+01
               156           157           158           159           160 
      1   0.458873D+00  0.191897D+00 -0.193534D+01 -0.304153D+01 -0.508700D+00
      2   0.681103D+00 -0.436934D+00  0.703069D+00  0.881489D+00 -0.290761D+01
      3   0.207228D+01  0.236983D+00  0.506340D-01 -0.835344D+00  0.405989D+01
               161           162           163           164           165 
      1  -0.172528D+01 -0.166767D+02  0.150149D+01  0.215983D-01 -0.757010D+00
      2   0.152649D+01  0.513438D+01  0.138523D+01  0.130463D-01 -0.294955D-01
      3  -0.110508D+01 -0.655303D+00  0.104501D+01 -0.352889D+00 -0.145406D+01
               166           167           168           169           170 
      1   0.718262D+00  0.226331D+01  0.111743D+01  0.104681D+01  0.357873D+01
      2  -0.777973D+00  0.512946D-01  0.110879D+01 -0.385400D+01 -0.261338D+00
      3   0.363332D+00 -0.174036D+01 -0.729498D+00 -0.295812D+01 -0.146033D+01
               171           172           173           174           175 
      1   0.121157D+02 -0.154717D+01  0.131425D+01  0.189175D+01  0.857938D+00
      2   0.737902D+01 -0.182287D+01  0.128062D+01  0.247971D+01  0.168460D+01
      3  -0.747195D+00 -0.580475D+01 -0.565255D+00  0.477783D+00  0.458907D+01
               176           177           178           179           180 
      1  -0.238663D+01 -0.266337D+01  0.159791D+01 -0.635493D+00  0.635797D+00
      2  -0.149146D+01 -0.144561D+01 -0.865646D-01 -0.675234D+00  0.149827D+00
      3   0.104572D+01  0.577488D+00  0.105456D+01  0.102414D+01 -0.733621D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.216139D+02 -0.134485D+02 -0.977133D+01 -0.264645D+01  0.238179D+01
      2   0.134651D+02  0.129150D+02  0.251281D+01  0.499347D+01  0.511153D+01
      3   0.814877D+01  0.533447D+00  0.725852D+01 -0.234702D+01 -0.749332D+01
      4  -0.134305D+02 -0.705758D+01 -0.583316D+01  0.394377D+01  0.754811D+01
      5  -0.114789D+02 -0.245435D+01 -0.121361D+02 -0.358424D+00 -0.272974D+01
      6  -0.324856D+01  0.136361D+00 -0.179655D+01 -0.234961D+00 -0.136966D+01
                 6             7             8             9            10 
      1  -0.135128D+01 -0.131770D+02 -0.360556D+01 -0.101980D+02 -0.392431D+00
      2   0.128233D+00  0.275437D+01 -0.277676D+01  0.161233D+02 -0.754299D+01
      3   0.122305D+01  0.104226D+02  0.638232D+01 -0.592525D+01  0.793542D+01
      4  -0.451229D+01 -0.882993D+01 -0.344019D+01 -0.831460D+01  0.126790D+02
      5  -0.349046D+00 -0.161669D+02 -0.491518D+01  0.162850D+02  0.580273D+01
      6   0.144863D+01 -0.541314D+01 -0.843534D+00  0.994914D+01 -0.108670D+01
                11            12            13            14            15 
      1  -0.166683D+01 -0.368420D+01 -0.511303D+00 -0.483412D+00  0.169421D+01
      2   0.914199D+01 -0.797898D+00  0.528052D+01 -0.135879D+02 -0.365926D+01
      3  -0.747516D+01  0.448209D+01 -0.476922D+01  0.140713D+02  0.196506D+01
      4  -0.159465D+02 -0.200249D+01 -0.245579D+02  0.190879D+02  0.891194D+01
      5  -0.143290D+01 -0.495294D+00 -0.513224D+01  0.515613D+01  0.405805D+01
      6   0.588007D+01  0.101791D+01  0.229813D+01 -0.117827D+02 -0.102547D+02
                16            17            18            19            20 
      1   0.510122D+01  0.121117D+00  0.379646D+01 -0.538676D+01  0.635892D+01
      2   0.154178D-01 -0.859986D+01 -0.852454D+01  0.262745D+01 -0.519289D+01
      3  -0.511664D+01  0.847874D+01  0.472808D+01  0.275931D+01 -0.116603D+01
      4  -0.934971D+01  0.158283D+02  0.565756D+01 -0.621296D+01  0.557712D+01
      5   0.357763D+01  0.158968D+01  0.755477D+01 -0.508322D+01  0.160987D+01
      6   0.604525D+00 -0.374735D+01 -0.457234D+01 -0.354160D+01  0.291152D+01
                21            22            23            24            25 
      1   0.481747D+01  0.945423D+01  0.122411D+02  0.514177D+01 -0.297220D-01
      2   0.605600D+01 -0.797313D+01 -0.170496D+02  0.912788D+01  0.376810D+01
      3  -0.108735D+02 -0.148110D+01  0.480851D+01 -0.142696D+02 -0.373838D+01
      4   0.376829D+00  0.526605D+01 -0.657666D+01  0.825091D+00  0.182854D+01
      5   0.284887D+01  0.296299D+01  0.273253D+01 -0.282818D+01  0.190736D+01
      6   0.906616D+00  0.370999D+01  0.120320D+02  0.300171D+00 -0.374476D+00
                26            27            28            29            30 
      1   0.493564D+01  0.112761D+02 -0.885640D-01 -0.598614D+01  0.439758D+01
      2   0.621984D+01  0.976215D+01  0.252175D+01 -0.138284D+00 -0.503667D+01
      3  -0.111555D+02 -0.210383D+02 -0.243318D+01  0.612443D+01  0.639086D+00
      4  -0.748736D+00 -0.302097D+01 -0.645018D+00 -0.187080D+01 -0.892446D+01
      5  -0.237633D+01 -0.859970D+01  0.802727D+01 -0.102845D+02 -0.152556D+02
      6   0.247355D+01  0.147686D+01 -0.377503D+01 -0.310540D+01  0.166444D+01
                31            32            33            34            35 
      1  -0.836884D+01  0.399366D+01 -0.118045D+02  0.698878D+00 -0.119684D+02
      2   0.164142D+01 -0.180884D+01  0.592288D+01 -0.522517D+01  0.695568D+01
      3   0.672742D+01 -0.218483D+01  0.588158D+01  0.452629D+01  0.501268D+01
      4  -0.575262D+01  0.584754D+01 -0.169528D+01 -0.922420D+01 -0.507388D+01
      5  -0.150634D+02 -0.256947D+01  0.571729D+01 -0.144003D+02  0.504825D+01
      6  -0.207743D+01 -0.156747D+01 -0.435407D+01  0.155689D+01 -0.268263D+01
                36            37            38            39            40 
      1  -0.108452D+02  0.207718D+02 -0.734636D+01 -0.278978D+01 -0.452048D+01
      2   0.803459D+01 -0.837836D+00 -0.658884D+01  0.176640D+01 -0.101903D+02
      3   0.281057D+01 -0.199340D+02  0.139352D+02  0.102338D+01  0.147108D+02
      4   0.392481D+01 -0.296762D+02  0.305149D+02  0.622395D+01  0.345670D+02
      5   0.192782D+02 -0.615453D+01  0.361765D+01  0.926021D+01  0.513422D+01
      6  -0.630663D+01  0.554886D+01 -0.397938D+01 -0.588688D+01 -0.491452D+01
                41            42            43            44            45 
      1  -0.126306D+02 -0.528719D+01 -0.155788D+01 -0.500299D+01 -0.644656D+01
      2   0.381207D+02  0.679277D+01  0.343524D+00  0.775823D+01  0.277812D+01
      3  -0.254901D+02 -0.150558D+01  0.121436D+01 -0.275523D+01  0.366843D+01
      4  -0.463485D+02 -0.100994D+02  0.104251D+02 -0.130087D+02 -0.143404D+02
      5  -0.643980D+01 -0.931676D+01  0.113802D+02 -0.116675D+02 -0.120167D+02
      6   0.154941D+02  0.174372D+02 -0.753871D+01  0.191299D+02  0.132290D+02
                46            47            48            49            50 
      1   0.922221D+01  0.280131D+01 -0.491896D+01  0.821484D-01 -0.168166D+01
      2  -0.875218D+01 -0.238867D+01  0.564659D+01  0.731382D+00 -0.228176D+00
      3  -0.470031D+00 -0.412645D+00 -0.727634D+00 -0.813531D+00  0.190984D+01
      4   0.559352D+01  0.441225D+01 -0.307488D+01  0.385139D+01  0.135220D+01
      5  -0.850867D+01 -0.161191D+01  0.113088D+02  0.102512D+00 -0.437028D+01
      6  -0.333752D+01 -0.144473D+01  0.251987D+01 -0.229780D+01 -0.230538D+01
                51            52            53            54            55 
      1   0.158005D+01 -0.615110D+01  0.249452D+01 -0.495144D+00  0.489686D+02
      2  -0.204118D+01  0.997215D+01 -0.263664D+00 -0.184743D+02 -0.271442D+02
      3   0.461125D+00 -0.382105D+01 -0.223086D+01  0.189695D+02 -0.218244D+02
      4  -0.460147D+01 -0.399547D+01 -0.622318D+01  0.747632D+01  0.213776D+02
      5   0.963418D+00  0.165281D+02  0.465930D+01 -0.287064D+02  0.157415D+02
      6   0.614172D+01  0.530215D+01  0.583785D+01 -0.126517D+02  0.344838D+01
                56            57            58            59            60 
      1   0.964216D+01  0.121567D+02  0.160765D+01  0.392259D+01  0.980497D+00
      2  -0.449217D+01 -0.731189D+01  0.115739D+01  0.580222D-01  0.474549D+00
      3  -0.514999D+01 -0.484478D+01 -0.276504D+01 -0.398062D+01 -0.145505D+01
      4   0.131557D+02  0.512024D+01  0.103209D+02  0.563468D+01  0.406866D+01
      5   0.278440D+01  0.114803D+02  0.151261D+01  0.429546D+01  0.148381D+01
      6   0.120895D+01  0.299239D+01  0.149239D+01  0.115658D+01  0.238005D+01
                61            62            63            64            65 
      1   0.178000D+02  0.311036D+01  0.954352D+01  0.828020D+00 -0.100482D+01
      2  -0.113967D+02 -0.115866D+00 -0.877398D+01 -0.535612D+01  0.375600D+00
      3  -0.640332D+01 -0.299449D+01 -0.769535D+00  0.452810D+01  0.629215D+00
      4   0.840704D+01  0.685269D+01  0.692260D+01 -0.756159D-01  0.103855D+01
      5   0.156406D+02  0.514394D+01  0.987037D+01  0.468975D+01  0.825178D+00
      6   0.451794D+01  0.311770D+01  0.199600D+01  0.291852D+00  0.892194D+00
                66            67            68            69            70 
      1  -0.466632D+01 -0.986266D+00 -0.444228D+01 -0.445222D+01 -0.229972D+01
      2  -0.481814D+01  0.840912D+00 -0.107480D+01 -0.575642D+01 -0.282316D+01
      3   0.948447D+01  0.145354D+00  0.551709D+01  0.102086D+02  0.512288D+01
      4  -0.646453D+00 -0.792516D+00  0.161951D+01  0.105847D+01 -0.170419D+01
      5   0.833238D+01  0.156462D+01  0.110896D+01  0.166282D+01  0.614946D+01
      6  -0.236549D+01  0.616909D+00  0.830985D+00  0.395562D+01 -0.830800D+00
                71            72            73            74            75 
      1  -0.172879D+01 -0.234783D+02  0.285463D+00 -0.151111D+01  0.699737D+00
      2  -0.356415D+01 -0.199349D+02  0.288542D+01  0.254554D+01 -0.518753D+00
      3   0.529294D+01  0.434132D+02 -0.317089D+01 -0.103443D+01 -0.180984D+00
      4   0.912044D+00  0.792854D+00  0.447705D+01  0.792812D+01 -0.191079D+01
      5   0.808659D+00  0.747601D+01 -0.223474D+01 -0.337165D+01  0.313139D+01
      6   0.452009D+01 -0.669807D+01 -0.272006D+01 -0.326568D+01  0.217923D+01
                76            77            78            79            80 
      1  -0.230273D+01 -0.209283D+02  0.738084D+01 -0.167412D+00  0.340194D+01
      2   0.424155D+01  0.307703D+02 -0.613187D+01 -0.937873D-01 -0.109536D+01
      3  -0.193881D+01 -0.984200D+01 -0.124897D+01  0.261199D+00 -0.230658D+01
      4   0.737620D+01  0.822967D+01 -0.211177D+01 -0.866278D+00 -0.125451D+01
      5  -0.243059D+01 -0.277052D+01  0.183094D+01  0.179416D+01  0.220625D+01
      6  -0.340491D+01 -0.198728D+02  0.110931D+02  0.177880D+01  0.863792D+01
                81            82            83            84            85 
      1  -0.589474D+01  0.148453D+02 -0.105577D+01 -0.823313D+01 -0.146185D+01
      2   0.196295D+01 -0.130530D+02  0.162711D+01  0.993424D+01  0.219948D+01
      3   0.393179D+01 -0.179229D+01 -0.571337D+00 -0.170111D+01 -0.737631D+00
      4   0.195639D+01 -0.400692D+01  0.590317D+01  0.507753D+01  0.638973D+01
      5  -0.840045D+00 -0.176403D+02  0.533614D+01  0.182537D+02  0.580543D+01
      6  -0.566326D+01  0.376309D+01 -0.154281D+01 -0.254802D+01 -0.320204D+01
                86            87            88            89            90 
      1  -0.454471D+00  0.120080D+01 -0.712566D+01  0.542162D+00  0.157385D+01
      2  -0.347468D+00 -0.254124D+01  0.110291D+02 -0.233580D+01 -0.163485D+02
      3   0.801938D+00  0.134044D+01 -0.390341D+01  0.179364D+01  0.147746D+02
      4  -0.524306D+01 -0.568251D+01  0.417905D+01 -0.460598D+01 -0.703994D+01
      5  -0.672542D+01 -0.697688D+01  0.191074D+02 -0.618794D+01 -0.286213D+02
      6   0.369359D+01  0.741948D+01 -0.402818D+01  0.534782D+01  0.646176D+01
                91            92            93            94            95 
      1  -0.166386D+02  0.915457D+01 -0.163073D+02  0.155834D+02 -0.969270D+01
      2   0.112014D+02 -0.122127D+02  0.101412D+02 -0.174209D+02 -0.722292D+00
      3   0.543720D+01  0.305812D+01  0.616612D+01  0.183750D+01  0.104150D+02
      4   0.793764D+01 -0.990358D+01  0.159578D+02 -0.122582D+02 -0.152628D+02
      5  -0.899484D+01  0.195528D+02  0.214722D+01  0.246788D+02  0.721003D+01
      6   0.469371D+01  0.671914D+01  0.720511D+01  0.705513D+01  0.534791D+01
                96            97            98            99           100 
      1   0.237298D+02 -0.132427D+02  0.223160D+02  0.108504D+02 -0.685855D+01
      2  -0.763697D+01  0.116316D+02 -0.571512D+01 -0.457485D+01  0.214639D+01
      3  -0.160928D+02  0.161108D+01 -0.166009D+02 -0.627553D+01  0.471216D+01
      4   0.110336D+02  0.202062D+02  0.133900D+02 -0.265469D+01 -0.392631D+01
      5  -0.215126D+01  0.509545D+00 -0.338455D+01 -0.665525D+01  0.110073D+00
      6  -0.439245D+01  0.669454D+01 -0.487491D+01 -0.481251D+01  0.275180D+01
               101           102           103           104           105 
      1   0.347162D+01  0.996712D+01  0.243123D+01 -0.682021D+01 -0.949725D+01
      2  -0.220020D+01 -0.239052D+01 -0.489259D+00  0.589825D+01  0.408531D+01
      3  -0.127143D+01 -0.757660D+01 -0.194197D+01  0.921957D+00  0.541195D+01
      4  -0.309895D+00 -0.127812D+01  0.332082D+01  0.643004D+01  0.288221D+01
      5  -0.289042D+01 -0.291063D+01 -0.177356D+01  0.349949D+01  0.531519D+01
      6  -0.430910D+01 -0.557161D+01 -0.210944D+01  0.713978D+01  0.951975D+01
               106           107           108           109           110 
      1   0.101821D+02 -0.954943D+01 -0.174742D+02  0.509135D+02 -0.120621D+02
      2  -0.403617D+01  0.368670D+01 -0.115681D+01 -0.309037D+02  0.874010D+01
      3  -0.614591D+01  0.586273D+01  0.186310D+02 -0.200098D+02  0.332203D+01
      4   0.851188D+00  0.404401D+01  0.427385D+01 -0.670034D+01  0.110573D+02
      5   0.251317D+01  0.616570D+01  0.153960D+02  0.212726D+02 -0.659276D+01
      6  -0.260093D+01  0.995077D+01  0.154197D+02 -0.104229D+01  0.175275D+01
               111           112           113           114           115 
      1   0.146166D+02 -0.222741D+02  0.106727D+02 -0.755883D+01  0.148359D+02
      2  -0.117288D+02  0.146333D+02 -0.576455D+01  0.583091D+01 -0.123430D+02
      3  -0.288781D+01  0.764076D+01 -0.490815D+01  0.172793D+01 -0.249290D+01
      4  -0.340655D+01  0.115047D+02 -0.104855D+02  0.318399D+01 -0.365221D+01
      5   0.140602D+02 -0.113724D+02  0.517086D+01 -0.788043D+01  0.160734D+02
      6  -0.607856D+00  0.208366D+01 -0.374617D+01  0.240356D+01 -0.820582D+00
               116           117           118           119           120 
      1  -0.502348D+01  0.820625D+01  0.181138D+02  0.962537D+01 -0.291703D+01
      2   0.389139D+01 -0.921972D+01 -0.481168D+01  0.140786D+01 -0.195503D+00
      3   0.113209D+01  0.101348D+01 -0.133021D+02 -0.110332D+02  0.311254D+01
      4   0.222476D+01 -0.243090D+01  0.174815D+02  0.186507D+02 -0.677806D+01
      5  -0.450450D+01  0.131836D+02 -0.388925D+01 -0.571900D+01  0.573561D+01
      6   0.293291D+01  0.321372D+00 -0.244226D+01 -0.158428D+01  0.165618D+01
               121           122           123           124           125 
      1   0.106059D+02  0.521922D+01 -0.342597D+01 -0.766279D+01 -0.431640D+01
      2   0.329717D+01  0.147899D+02 -0.303052D+01  0.131648D+01 -0.346849D+01
      3  -0.139031D+02 -0.200091D+02  0.645649D+01  0.634630D+01  0.778490D+01
      4   0.239603D+02  0.347096D+02 -0.934502D+01 -0.114970D+02 -0.140245D+02
      5  -0.600839D+01 -0.808371D+01  0.829158D+01  0.719479D+01  0.908298D+01
      6  -0.231167D+01 -0.415770D+01  0.661999D+01  0.292724D+01  0.690474D+01
               126           127           128           129           130 
      1   0.887598D+00 -0.239904D+01  0.966460D+01 -0.327886D+00  0.112399D+02
      2   0.134607D+01  0.592747D+01 -0.147803D+02  0.308414D+01 -0.164117D+02
      3  -0.223366D+01 -0.352843D+01  0.511566D+01 -0.275626D+01  0.517186D+01
      4   0.915206D+01  0.394169D+01  0.711349D+00  0.522913D+01  0.105640D+01
      5  -0.973698D+01  0.219849D+01  0.119425D+01 -0.148102D+00 -0.571803D+00
      6  -0.581413D+01  0.629544D+01  0.377754D+01 -0.979110D-01  0.446556D+01
               131           132           133           134           135 
      1   0.147127D+02 -0.489963D+01 -0.223659D+00 -0.420365D+01  0.149064D+02
      2  -0.285420D+02  0.116632D+02  0.341987D+01  0.164063D+02 -0.956834D+01
      3   0.138293D+02 -0.676354D+01 -0.319621D+01 -0.122026D+02 -0.533808D+01
      4  -0.171876D+02  0.570797D+01  0.495914D+01  0.664170D+01 -0.261561D+01
      5   0.409609D+01 -0.915972D+00  0.555312D+00 -0.282388D+01 -0.635482D+01
      6   0.140339D+02 -0.775248D+01 -0.822981D+00 -0.130410D+02 -0.255510D+02
               136           137           138           139           140 
      1   0.237887D+01 -0.684943D+00  0.128769D+01 -0.274779D+01 -0.828378D+01
      2  -0.121979D+02  0.118172D+02 -0.276944D+01  0.135165D+02 -0.491400D+00
      3   0.981902D+01 -0.111323D+02  0.148175D+01 -0.107687D+02  0.877518D+01
      4   0.108359D+02 -0.208218D+02 -0.100073D+01 -0.190018D+02  0.134970D+02
      5   0.139091D+01  0.290289D+01  0.202611D+01  0.343105D+01 -0.223793D+00
      6  -0.331727D+01 -0.265610D+01 -0.128779D+01 -0.258454D+01 -0.404663D+01
               141           142           143           144           145 
      1   0.535268D+01  0.152368D+01  0.429949D+01  0.731744D+01 -0.114359D+01
      2  -0.183343D+01 -0.595968D+00 -0.564621D+01  0.110536D+02  0.728088D+01
      3  -0.351925D+01 -0.927707D+00  0.134672D+01 -0.183711D+02 -0.613729D+01
      4  -0.888936D+00 -0.860208D+00  0.265529D+01  0.999073D-01  0.855902D+01
      5  -0.255160D+01  0.220344D+01 -0.141119D+01 -0.895285D+01 -0.172705D+01
      6   0.496753D+01  0.219695D-01  0.378236D+01  0.158049D+02 -0.428427D+01
               146           147           148           149           150 
      1  -0.337892D+01  0.847766D-01 -0.487659D+01 -0.324915D+02  0.607506D+01
      2   0.104917D+02 -0.146680D+01  0.122979D+02  0.610146D+02 -0.108903D+02
      3  -0.711276D+01  0.138202D+01 -0.742129D+01 -0.285231D+02  0.481519D+01
      4   0.143125D+02 -0.375467D+01  0.123964D+02  0.236321D+02 -0.430417D+01
      5  -0.190846D+01  0.256186D+01 -0.162027D+01 -0.306558D+01  0.266626D+01
      6  -0.275226D+01  0.208039D+01 -0.290417D+01 -0.142685D+02  0.104063D+02
               151           152           153           154           155 
      1   0.101571D+01  0.101226D+02 -0.771679D+01 -0.496676D-01 -0.123885D+00
      2  -0.301475D+01 -0.168987D+02  0.880786D+01 -0.213338D+01  0.885226D+00
      3   0.199904D+01  0.677608D+01 -0.109107D+01  0.218305D+01 -0.761341D+00
      4  -0.525190D+01 -0.709063D+01  0.455215D+01 -0.531546D+00  0.321693D+01
      5   0.260484D+01  0.384792D+01 -0.180241D+01  0.114454D+01  0.161125D+01
      6   0.333699D+01  0.145770D+02 -0.623711D+01  0.421148D+01 -0.794319D+00
               156           157           158           159           160 
      1   0.160427D+01 -0.148628D+01 -0.774389D+01 -0.558749D+01  0.133346D+01
      2  -0.141877D+01  0.227276D+01  0.906263D+01  0.452974D+01 -0.112046D+01
      3  -0.185494D+00 -0.786484D+00 -0.131874D+01  0.105774D+01 -0.213000D+00
      4   0.406663D+01  0.202370D+01  0.306582D+01  0.120181D+01  0.517164D+01
      5   0.574876D+01  0.847907D+00  0.126693D+01  0.116783D+01  0.432344D+01
      6  -0.567910D+00  0.131335D+00  0.721288D+01  0.102217D+02  0.193559D+01
               161           162           163           164           165 
      1  -0.952730D+01 -0.193990D+02 -0.151286D+01 -0.375079D+00  0.185138D+01
      2   0.661652D+01  0.557760D+00 -0.836079D+00 -0.103550D+01 -0.837933D-02
      3   0.291079D+01  0.188412D+02  0.234893D+01  0.141058D+01 -0.184300D+01
      4   0.213882D+01  0.343308D+01 -0.285651D+00  0.382661D+01 -0.152403D+01
      5   0.320141D+01  0.871174D+01  0.106701D+01 -0.164272D+00  0.500248D+01
      6   0.166025D+02  0.339539D+02 -0.151472D+01  0.270486D+00  0.170597D+01
               166           167           168           169           170 
      1   0.109747D+01 -0.505244D+00 -0.622927D-01  0.184740D+01  0.348113D+01
      2  -0.268699D+01 -0.144584D+01 -0.378963D+01 -0.258979D+01 -0.356393D+01
      3   0.158952D+01  0.195108D+01  0.385193D+01  0.742391D+00  0.827984D-01
      4   0.316485D+01 -0.978705D+00  0.145857D+01 -0.256405D+01  0.234009D+01
      5   0.238793D+00  0.125920D+01  0.243050D+01  0.524307D+01 -0.573712D+00
      6   0.290459D+00 -0.126016D+01  0.292241D+01 -0.163633D+01  0.513795D+01
               171           172           173           174           175 
      1  -0.148028D+02  0.106087D+02 -0.197022D+01 -0.321413D+00  0.287824D-01
      2  -0.152942D+02  0.508700D+01 -0.109698D+02  0.547221D+00 -0.118276D+02
      3   0.300970D+02 -0.156957D+02  0.129400D+02 -0.225808D+00  0.117988D+02
      4  -0.244177D+01 -0.273141D+02  0.252434D+02 -0.108935D+01  0.238601D+02
      5   0.120480D+02  0.242596D+01 -0.217584D+01  0.412980D+01 -0.194780D+01
      6  -0.185322D+02 -0.694333D+00  0.188505D+01 -0.319809D+01  0.205736D+01
               176           177           178           179           180 
      1  -0.674467D+01  0.238656D+00 -0.147370D+01 -0.451276D+00 -0.166203D+01
      2   0.257548D+02 -0.140129D+00  0.215402D+00  0.195705D+01  0.138910D+01
      3  -0.190101D+02 -0.985277D-01  0.125830D+01 -0.150577D+01  0.272936D+00
      4  -0.284935D+02  0.106797D+01  0.176720D+01 -0.155741D+01 -0.538274D+01
      5   0.118265D+01 -0.261755D+01  0.390053D+01 -0.383140D+01  0.642283D+00
      6  -0.173609D+01  0.459839D+01 -0.453258D+01  0.587481D+01 -0.945262D+00
 Leave Link  716 at Fri Jul 23 14:41:56 2021, MaxMem= 10737418240 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.906392D+02  0.779138D-01 -0.184056D+01
      2   0.779138D-01  0.896384D+02  0.828396D+00
      3  -0.184056D+01  0.828396D+00  0.750820D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.329705D+01  0.277767D+01 -0.821372D+01
      2  -0.130501D+02  0.517040D+01 -0.140857D+02
      3   0.157775D+02  0.934420D+01  0.532492D+00
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.433660D+02 -0.202051D+02 -0.184127D+02
      2   0.257886D+02  0.263734D+02  0.171102D+01
      3   0.175775D+02 -0.616834D+01  0.167017D+02
      4   0.632633D+01 -0.611282D+01  0.135996D+02
      5  -0.162496D+02  0.997396D+01 -0.247840D+02
      6   0.962562D+01 -0.472397D+01  0.164014D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.486235D+01 -0.234151D+01 -0.179844D+01 -0.111582D+01  0.254047D+01
      2  -0.234151D+01 -0.141026D-01 -0.395042D+00  0.254047D+01  0.238061D+01
      3  -0.179844D+01 -0.395042D+00 -0.261881D+01 -0.453192D+00 -0.167059D+01
                 6             7             8             9            10 
      1  -0.453192D+00 -0.251851D+01 -0.511536D+00 -0.342311D+01  0.861322D-01
      2  -0.167059D+01 -0.511536D+00 -0.106912D+01 -0.756862D+00  0.282691D+01
      3  -0.147178D+00 -0.342311D+01 -0.756862D+00  0.478334D+01  0.144827D+00
                11            12            13            14            15 
      1   0.282691D+01  0.144827D+00  0.160517D+01 -0.414069D+01 -0.653027D+00
      2  -0.356390D+01 -0.120400D+01 -0.414069D+01  0.173017D+00  0.311658D+01
      3  -0.120400D+01  0.104050D+01 -0.653027D+00  0.311658D+01  0.931329D+00
                16            17            18            19            20 
      1   0.116021D+01 -0.174477D+01  0.611255D+00  0.221271D+01 -0.276162D+01
      2  -0.174477D+01  0.279259D+01  0.155658D+01 -0.276162D+01  0.330248D+01
      3   0.611255D+00  0.155658D+01 -0.245034D+00  0.159853D+01 -0.879601D+00
                21            22            23            24            25 
      1   0.159853D+01 -0.319851D+01  0.310838D+01 -0.122614D+01  0.987879D+00
      2  -0.879601D+00  0.310838D+01  0.537248D+01 -0.192264D+01 -0.839121D+00
      3  -0.206367D+01 -0.122614D+01 -0.192264D+01 -0.184404D+01 -0.133997D+01
                26            27            28            29            30 
      1  -0.839121D+00 -0.133997D+01 -0.206416D+01  0.254606D+01 -0.144109D+01
      2  -0.118628D+01 -0.187448D+01  0.254606D+01 -0.184569D+01  0.296844D+01
      3  -0.187448D+01 -0.371692D+01 -0.144109D+01  0.296844D+01  0.272435D+01
                31            32            33            34            35 
      1   0.378105D+01 -0.217742D+01  0.292009D+01 -0.175396D+01  0.379375D+01
      2  -0.217742D+01 -0.266854D+01  0.102931D+01  0.379375D+01  0.177391D+01
      3   0.292009D+01  0.102931D+01 -0.721626D+00  0.294202D+01 -0.106617D+01
                36            37            38            39            40 
      1   0.294202D+01  0.519711D+01 -0.437893D+01 -0.159268D+01 -0.395587D+01
      2  -0.106617D+01 -0.437893D+01  0.367217D+01  0.802874D+00  0.503579D+01
      3  -0.385474D+01 -0.159268D+01  0.802874D+00  0.730812D+00  0.102542D+01
                41            42            43            44            45 
      1   0.503579D+01  0.102542D+01 -0.218187D+01  0.154452D+01  0.193924D+01
      2  -0.101814D+02 -0.298825D+01  0.154452D+01 -0.302862D+01 -0.370860D+01
      3  -0.298825D+01 -0.203095D+01  0.193924D+01 -0.370860D+01 -0.273525D+01
                46            47            48            49            50 
      1   0.214014D+01  0.701784D+00 -0.152026D+01  0.288644D+00  0.254871D+00
      2   0.701784D+00  0.506684D+00 -0.244456D+00  0.254871D+00  0.730305D-01
      3  -0.152026D+01 -0.244456D+00  0.149173D+01  0.478331D-01 -0.963434D+00
                51            52            53            54            55 
      1   0.478331D-01 -0.242510D+01 -0.222136D+00  0.293413D+01  0.874190D+01
      2  -0.963434D+00 -0.222136D+00 -0.167047D+01  0.103231D+01  0.190351D+01
      3   0.379149D+00  0.293413D+01  0.103231D+01 -0.695969D+01  0.233032D+01
                56            57            58            59            60 
      1   0.190351D+01  0.233032D+01  0.799401D+00  0.103534D+01  0.269175D+00
      2   0.174118D+01  0.375748D+00  0.103534D+01  0.795576D+00  0.839943D+00
      3   0.375748D+00  0.175992D+01  0.269175D+00  0.839943D+00  0.329097D+00
                61            62            63            64            65 
      1   0.371605D+01  0.619092D+00  0.246051D+01  0.689371D+00  0.682605D+00
      2   0.619092D+00  0.144101D+01  0.798669D+00  0.682605D+00 -0.612286D-01
      3   0.246051D+01  0.798669D+00  0.148003D+01  0.112231D+01  0.197246D+00
                66            67            68            69            70 
      1   0.112231D+01  0.154632D+01 -0.203019D+00  0.149948D+00  0.147283D+01
      2   0.197246D+00 -0.203019D+00  0.742974D+00  0.135773D+01  0.224541D+00
      3   0.190612D+01  0.149948D+00  0.135773D+01  0.174793D+01  0.117051D+01
                71            72            73            74            75 
      1   0.224541D+00  0.117051D+01 -0.119986D+01 -0.119535D+01  0.848847D-01
      2   0.123478D+01  0.877402D+00 -0.119535D+01 -0.137271D+01  0.491381D+00
      3   0.877402D+00  0.821262D+01  0.848847D-01  0.491381D+00 -0.258648D+00
                76            77            78            79            80 
      1  -0.162627D+01 -0.147294D+01  0.394022D+00 -0.901714D-01  0.302338D+00
      2  -0.147294D+01 -0.811860D+01  0.225477D+01  0.302338D+00  0.895981D+00
      3   0.394022D+00  0.225477D+01 -0.158036D+01 -0.157326D+00 -0.124097D+01
                81            82            83            84            85 
      1  -0.157326D+00 -0.363142D+01  0.405348D+00  0.259081D+01  0.653010D+00
      2  -0.124097D+01  0.405348D+00 -0.781421D+00 -0.987823D+00 -0.815118D+00
      3   0.138274D+01  0.259081D+01 -0.987823D+00 -0.289278D+01 -0.107017D+01
                86            87            88            89            90 
      1  -0.815118D+00 -0.107017D+01  0.302595D+01 -0.100677D+01 -0.306178D+01
      2   0.150835D+01  0.126364D+01 -0.100677D+01  0.118098D+01  0.122135D+01
      3   0.126364D+01  0.152717D+01 -0.306178D+01  0.122135D+01  0.595534D+01
                91            92            93            94            95 
      1   0.304765D+01 -0.187067D+01  0.126590D+01 -0.300085D+01  0.262142D+01
      2  -0.187067D+01  0.189690D+01 -0.374329D+01  0.262142D+01  0.280346D+01
      3   0.126590D+01 -0.374329D+01 -0.137429D+01 -0.440386D+01 -0.128094D+01
                96            97            98            99           100 
      1  -0.440386D+01  0.639893D+00 -0.449001D+01 -0.111201D+01  0.172915D+01
      2  -0.128094D+01 -0.449001D+01 -0.194436D+01  0.164318D+01 -0.215685D+00
      3   0.109240D+01 -0.111201D+01  0.164318D+01  0.255502D+01 -0.108170D+01
               101           102           103           104           105 
      1  -0.215685D+00 -0.108170D+01 -0.359636D+00  0.274664D-01  0.595928D+00
      2   0.959675D+00  0.108096D+01  0.274664D-01 -0.202216D+01 -0.138300D+01
      3   0.108096D+01  0.204622D+01  0.595928D+00 -0.138300D+01 -0.169915D+01
               106           107           108           109           110 
      1  -0.148965D+01  0.492528D+00  0.640506D+00 -0.743491D+01  0.167147D+01
      2   0.492528D+00 -0.160243D+01 -0.201035D+01  0.167147D+01 -0.170877D+01
      3   0.640506D+00 -0.201035D+01 -0.509490D+01 -0.246914D+01  0.926031D+00
               111           112           113           114           115 
      1  -0.246914D+01  0.365774D+01 -0.189534D+01  0.159400D+01 -0.234094D+01
      2   0.926031D+00 -0.189534D+01  0.179903D+01 -0.664309D+00  0.975290D+00
      3  -0.155053D+01  0.159400D+01 -0.664309D+00  0.111966D+01 -0.196823D+01
               116           117           118           119           120 
      1   0.975290D+00 -0.196823D+01 -0.332968D+01 -0.215344D+01  0.699663D+00
      2  -0.465009D+00  0.506566D+00 -0.215344D+01 -0.236044D+01  0.966316D+00
      3   0.506566D+00 -0.196028D+01  0.699663D+00  0.966316D+00 -0.627575D+00
               121           122           123           124           125 
      1  -0.264620D+01 -0.334792D+01  0.107908D+01  0.183800D+01  0.169971D+01
      2  -0.334792D+01 -0.596641D+01  0.151097D+01  0.169971D+01  0.249611D+01
      3   0.107908D+01  0.151097D+01 -0.152550D+01 -0.867088D+00 -0.166519D+01
               126           127           128           129           130 
      1  -0.867088D+00  0.227893D+01  0.219128D+01  0.165122D+01  0.235930D+01
      2  -0.166519D+01  0.219128D+01 -0.278250D+01  0.660495D+00 -0.324213D+01
      3   0.159616D+01  0.165122D+01  0.660495D+00  0.635743D-01  0.769822D+00
               131           132           133           134           135 
      1  -0.324213D+01  0.769822D+00  0.175893D+01  0.874480D+00  0.534378D-01
      2  -0.477541D+01  0.219608D+01  0.874480D+00  0.330126D+01 -0.264933D+01
      3   0.219608D+01 -0.165690D+01  0.534378D-01 -0.264933D+01 -0.636050D+01
               136           137           138           139           140 
      1   0.144747D+00 -0.376232D+01 -0.785028D+00 -0.375883D+01  0.406299D+01
      2  -0.376232D+01  0.398584D+01 -0.106344D+01  0.406299D+01  0.566411D+00
      3  -0.785028D+00 -0.106344D+01 -0.240320D+00 -0.981025D+00 -0.119991D+01
               141           142           143           144           145 
      1  -0.981025D+00 -0.123765D+01 -0.817552D+00 -0.210586D+00  0.119867D+01
      2  -0.119991D+01 -0.817552D+00 -0.241326D+01  0.146271D+01  0.170292D+01
      3   0.173619D+01 -0.210586D+00  0.146271D+01  0.629179D+01 -0.754682D+00
               146           147           148           149           150 
      1   0.170292D+01 -0.754682D+00  0.166893D+01  0.240405D+01 -0.415120D+00
      2   0.219933D+01 -0.408735D+00  0.240405D+01  0.103587D+02 -0.191385D+01
      3  -0.408735D+00  0.256571D+00 -0.415120D+00 -0.191385D+01  0.138187D+01
               151           152           153           154           155 
      1  -0.109903D+01 -0.731124D+00  0.511267D+00 -0.261509D+00  0.145041D+00
      2  -0.731124D+00 -0.319481D+01  0.213015D+01  0.145041D+00  0.266204D+00
      3   0.511267D+00  0.213015D+01 -0.679987D+00  0.931442D+00 -0.108404D+00
               156           157           158           159           160 
      1   0.931442D+00  0.293312D-01  0.432286D+00  0.140431D-01  0.153155D+01
      2  -0.108404D+00  0.432286D+00  0.186892D+01  0.140281D+01  0.101748D+00
      3  -0.688346D-01  0.140431D-01  0.140281D+01  0.131612D+01  0.405240D+00
               161           162           163           164           165 
      1   0.101748D+00  0.405240D+00  0.339650D+00  0.399696D+00 -0.882881D+00
      2   0.206721D+01  0.267547D+01  0.399696D+00 -0.257685D+00  0.129742D+00
      3   0.267547D+01  0.768826D+01 -0.882881D+00  0.129742D+00  0.347815D+00
               166           167           168           169           170 
      1  -0.163312D+00 -0.595714D+00  0.258243D-01 -0.158837D+01 -0.260833D+00
      2  -0.595714D+00 -0.526580D+00 -0.887414D+00 -0.260833D+00 -0.127639D+01
      3   0.258243D-01 -0.887414D+00 -0.932263D+00 -0.663939D+00  0.227572D+00
               171           172           173           174           175 
      1  -0.663939D+00 -0.502227D+01  0.350291D+01 -0.940013D-01  0.343641D+01
      2   0.227572D+00  0.350291D+01 -0.378202D+01  0.435558D+00 -0.363278D+01
      3  -0.785071D+01 -0.940013D-01  0.435558D+00 -0.672149D+00  0.317338D+00
               176           177           178           179           180 
      1  -0.363278D+01  0.317338D+00  0.593991D+00 -0.414493D-02 -0.864070D+00
      2   0.581655D+01 -0.975015D-01 -0.414493D-02  0.666917D+00  0.839997D+00
      3  -0.975015D-01  0.577044D+00 -0.864070D+00  0.839997D+00 -0.487288D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.117383D+01  0.554214D+00  0.106585D+01 -0.969427D+00 -0.829500D+00
      2  -0.513762D+01 -0.138235D+01 -0.640272D+01  0.119415D+01 -0.178350D+01
      3   0.486966D+01 -0.884196D+01 -0.332562D+01 -0.349478D+01 -0.286771D+01
                 6             7             8             9            10 
      1  -0.425222D+01  0.131179D+01  0.512358D+01 -0.327306D+01  0.526794D+01
      2   0.207537D+01 -0.120649D+02 -0.336740D+01  0.842654D+01 -0.160786D+02
      3   0.481394D+01 -0.419526D+01  0.188032D+01 -0.521652D+00 -0.557586D+01
                11            12            13            14            15 
      1   0.461234D+01 -0.268303D+01  0.471951D+01 -0.184998D+01  0.745242D+01
      2  -0.832376D+01  0.333042D+01 -0.541557D+01  0.737371D+01 -0.322813D+01
      3  -0.759290D+01  0.277488D+01  0.361589D+00  0.220662D+01 -0.891338D+01
                16            17            18            19            20 
      1   0.561207D+00  0.142051D+02  0.471808D+00 -0.367987D+01  0.149819D+01
      2  -0.130264D+02 -0.541320D+01  0.113130D+02 -0.440813D+01  0.716115D+01
      3  -0.272519D+01 -0.910023D+01  0.122452D+01  0.152136D+01  0.114498D+01
                21            22            23            24            25 
      1  -0.467093D+01  0.220978D+01  0.518009D+01 -0.834575D+01 -0.403418D+01
      2   0.367136D+01  0.791305D+01 -0.541451D+01  0.482604D+01 -0.951496D+01
      3  -0.209466D+01  0.714296D+01 -0.626338D+01  0.289899D+01 -0.324908D+01
                26            27            28            29            30 
      1  -0.300388D+01 -0.649227D+01  0.261691D+01 -0.898587D+00  0.940719D-01
      2   0.619621D+01 -0.367953D-01  0.833190D+01 -0.819528D+01  0.157596D+01
      3   0.372049D+01  0.134678D+01  0.456088D+01 -0.743559D+01  0.720100D+01
                31            32            33            34            35 
      1  -0.142609D+01  0.761063D+00 -0.159383D+01  0.112328D+01  0.618095D+01
      2  -0.126985D+02 -0.127480D+01  0.178225D+01 -0.114852D+01 -0.142337D+01
      3  -0.118167D+00 -0.448944D+01  0.231167D+01  0.978097D+01  0.193965D+01
                36            37            38            39            40 
      1   0.904975D+00 -0.383872D+01 -0.201475D+01  0.455444D+01  0.814914D+00
      2   0.265471D+01  0.195600D+01  0.454549D+01  0.445383D+01  0.351836D+01
      3  -0.312473D+01 -0.386678D+00 -0.241344D+01 -0.403897D+00  0.690921D+01
                41            42            43            44            45 
      1   0.378654D+00 -0.101996D+02  0.114147D+01 -0.268126D+01 -0.404595D+01
      2  -0.749026D+01 -0.406671D+01  0.404489D+01 -0.126097D+01 -0.863510D+01
      3   0.118223D+02  0.341682D+01  0.492643D+01  0.542988D+01  0.207431D+01
                46            47            48            49            50 
      1   0.138719D+01  0.276756D+00 -0.125298D+01  0.371497D+00 -0.734350D+00
      2  -0.276400D+01 -0.945916D+00  0.419223D+01 -0.875733D-01 -0.508140D+00
      3   0.189319D-01 -0.129185D+01 -0.656964D+00  0.142766D+01  0.134798D+01
                51            52            53            54            55 
      1  -0.739352D+00 -0.285793D+01  0.154779D+01  0.582194D+01 -0.330218D+01
      2   0.206254D+00  0.443310D+01  0.339056D+01 -0.154787D+02  0.958141D+01
      3   0.129080D+01 -0.659686D+00  0.429907D+01 -0.258007D+00  0.591578D+01
                56            57            58            59            60 
      1  -0.883963D+00 -0.152868D+01  0.219930D+00  0.895112D+00 -0.936737D+00
      2   0.250569D+01  0.609230D+01  0.310278D+00  0.598098D+00  0.365492D+00
      3  -0.294555D+01  0.141941D+01  0.183552D+00 -0.127907D+01 -0.190039D+01
                61            62            63            64            65 
      1  -0.268537D+01 -0.187940D+00 -0.128668D+01  0.132125D+01  0.133130D+01
      2   0.628592D+01  0.314920D+01  0.421248D+01  0.266157D+00 -0.157689D+01
      3   0.333559D+01 -0.287454D+01  0.963226D+00 -0.422580D-01 -0.238510D+01
                66            67            68            69            70 
      1   0.336749D+01 -0.333908D+00  0.360994D+01  0.348616D+01  0.206313D+01
      2  -0.306630D+01 -0.151642D+01 -0.353286D+00 -0.132202D+01 -0.351922D+01
      3  -0.181561D+01 -0.927867D-01  0.708388D-01 -0.726898D+00 -0.994347D+00
                71            72            73            74            75 
      1   0.506280D+01  0.944988D+01 -0.142851D+01 -0.195939D+01 -0.112822D+00
      2  -0.651392D+00 -0.418152D+01  0.943316D+00  0.139948D+01  0.128192D+01
      3  -0.672363D+00 -0.241779D+01  0.136403D+01 -0.132252D+00  0.826698D+00
                76            77            78            79            80 
      1  -0.163175D+01 -0.802199D+01 -0.130625D+01  0.725245D+00  0.104378D+01
      2   0.281206D+01  0.143205D+01 -0.134060D+00 -0.113390D+01 -0.138073D+00
      3   0.511323D+01  0.591255D+00 -0.212584D+00  0.425285D+00  0.248840D+00
                81            82            83            84            85 
      1  -0.252915D+00  0.485840D-01 -0.138260D+01 -0.679968D-01 -0.276210D+00
      2   0.507949D-02 -0.396516D+00  0.122210D+01  0.334563D+01  0.318822D+00
      3   0.130583D+00  0.202067D+00 -0.284867D+01 -0.185075D+01 -0.127411D+00
                86            87            88            89            90 
      1   0.107013D+01 -0.649151D+00  0.258324D+00  0.236887D+01 -0.468151D+00
      2  -0.340406D+00 -0.836495D+00 -0.214011D+01 -0.320582D+00 -0.598345D+01
      3   0.340631D+01  0.213564D+01 -0.218419D+01  0.310906D+01  0.237236D+01
                91            92            93            94            95 
      1   0.193035D+01 -0.595468D+01  0.169571D+01 -0.821799D+01 -0.421567D+01
      2  -0.177036D+01  0.109322D+02  0.766517D+01  0.123120D+02  0.481344D+01
      3  -0.927501D+01  0.383277D+01 -0.124446D+02  0.125485D+02  0.493706D+01
                96            97            98            99           100 
      1  -0.169752D+00  0.305187D+01  0.479988D+01  0.171049D+01 -0.807358D+00
      2  -0.612762D+01  0.353991D+00 -0.698270D+01 -0.787466D+01  0.580719D+01
      3   0.129342D+01 -0.132037D+02 -0.571290D+00  0.485483D+01 -0.350136D+01
               101           102           103           104           105 
      1  -0.457769D+00  0.178800D+01  0.550884D+00  0.525014D+00 -0.206005D+01
      2  -0.293987D+01 -0.526898D+01 -0.277130D+01  0.370769D+01  0.479492D+01
      3   0.181543D+01  0.385733D+01  0.214601D+01 -0.465916D+01 -0.423616D+01
               106           107           108           109           110 
      1   0.650857D+00  0.108620D+01 -0.439292D+01 -0.357666D+01  0.283437D+01
      2  -0.560538D+01  0.540349D+01  0.132255D+02  0.197076D+01 -0.138553D+01
      3   0.381262D+01 -0.422484D+01 -0.619929D+01  0.965983D+01 -0.825493D+01
               111           112           113           114           115 
      1  -0.152046D+01  0.236640D+01 -0.237150D+01  0.285904D+00 -0.238289D+01
      2   0.487088D+01 -0.225173D+01  0.844991D+00 -0.288226D+01  0.178420D+01
      3   0.468226D+01 -0.614599D+01  0.752188D+01 -0.270144D+01  0.459662D+01
               116           117           118           119           120 
      1   0.206369D+01 -0.164834D+01  0.179690D+01  0.240808D+01 -0.197198D+01
      2  -0.752659D+00  0.492116D+01 -0.237413D+01 -0.351038D+01  0.297664D+01
      3  -0.284381D+01  0.274021D+01 -0.183450D+01 -0.558083D+01  0.206425D+01
               121           122           123           124           125 
      1   0.297992D+01  0.455297D+01 -0.490950D+01 -0.152066D+01 -0.195778D+01
      2  -0.344917D+01 -0.503499D+01  0.538612D+01  0.120984D+01  0.457076D+01
      3  -0.355357D+01 -0.129932D+02  0.308365D+01  0.181104D+01  0.531753D+01
               126           127           128           129           130 
      1   0.336952D+01 -0.250549D+01 -0.323746D+01 -0.147888D+00 -0.282494D+01
      2  -0.482032D+01  0.134836D+01  0.281686D+01  0.233235D+01  0.891155D+00
      3  -0.362139D+01  0.461923D+01  0.660851D+01  0.324539D+01  0.126842D+02
               131           132           133           134           135 
      1  -0.795611D+01  0.220087D+01  0.108376D+01  0.107315D+02  0.135184D+02
      2   0.231565D+01 -0.625197D+00 -0.424339D+01 -0.182912D+01 -0.388364D+01
      3  -0.495410D+01 -0.448531D+00  0.318779D+01 -0.123568D+01  0.100361D+01
               136           137           138           139           140 
      1   0.375083D+01 -0.105411D-01  0.107148D+01 -0.867865D+00  0.443915D+01
      2   0.194423D+01 -0.198258D+01  0.225604D+01 -0.149046D+01  0.398836D+01
      3  -0.816872D+01 -0.660646D+01 -0.357026D+01  0.252676D+00  0.877157D+01
               141           142           143           144           145 
      1  -0.531969D+01  0.566266D+00  0.155741D+01 -0.112113D+02  0.196031D+01
      2  -0.226071D+01 -0.328855D+01 -0.272787D+01 -0.515442D+01 -0.307897D+00
      3  -0.238202D+01 -0.359487D+01 -0.387739D+01  0.181207D+01  0.188628D+01
               146           147           148           149           150 
      1   0.175738D+01 -0.127390D+01  0.146906D+01  0.621453D+01 -0.591210D+01
      2  -0.107638D+01  0.111801D+01 -0.587996D-01 -0.213700D+01  0.150208D+01
      3   0.305401D+00 -0.141647D+01  0.489866D+01 -0.248730D+01  0.342626D+00
               151           152           153           154           155 
      1  -0.115264D+01 -0.432764D+01  0.216139D+01 -0.206962D+01  0.191269D+00
      2  -0.903405D+00  0.152878D+01 -0.451984D+00  0.603746D+00 -0.146535D+00
      3  -0.322639D+01  0.996583D+00 -0.243507D+00 -0.111347D+01 -0.129041D+01
               156           157           158           159           160 
      1   0.458873D+00  0.191897D+00 -0.193534D+01 -0.304153D+01 -0.508700D+00
      2   0.681103D+00 -0.436934D+00  0.703069D+00  0.881489D+00 -0.290761D+01
      3   0.207228D+01  0.236983D+00  0.506340D-01 -0.835344D+00  0.405989D+01
               161           162           163           164           165 
      1  -0.172528D+01 -0.166767D+02  0.150149D+01  0.215983D-01 -0.757010D+00
      2   0.152649D+01  0.513438D+01  0.138523D+01  0.130463D-01 -0.294955D-01
      3  -0.110508D+01 -0.655303D+00  0.104501D+01 -0.352889D+00 -0.145406D+01
               166           167           168           169           170 
      1   0.718262D+00  0.226331D+01  0.111743D+01  0.104681D+01  0.357873D+01
      2  -0.777973D+00  0.512946D-01  0.110879D+01 -0.385400D+01 -0.261338D+00
      3   0.363332D+00 -0.174036D+01 -0.729498D+00 -0.295812D+01 -0.146033D+01
               171           172           173           174           175 
      1   0.121157D+02 -0.154717D+01  0.131425D+01  0.189175D+01  0.857938D+00
      2   0.737902D+01 -0.182287D+01  0.128062D+01  0.247971D+01  0.168460D+01
      3  -0.747195D+00 -0.580475D+01 -0.565255D+00  0.477783D+00  0.458907D+01
               176           177           178           179           180 
      1  -0.238663D+01 -0.266337D+01  0.159791D+01 -0.635493D+00  0.635797D+00
      2  -0.149146D+01 -0.144561D+01 -0.865646D-01 -0.675234D+00  0.149827D+00
      3   0.104572D+01  0.577488D+00  0.105456D+01  0.102414D+01 -0.733621D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.216139D+02 -0.134485D+02 -0.977133D+01 -0.264645D+01  0.238179D+01
      2   0.134651D+02  0.129150D+02  0.251281D+01  0.499347D+01  0.511153D+01
      3   0.814877D+01  0.533447D+00  0.725852D+01 -0.234702D+01 -0.749332D+01
      4  -0.134305D+02 -0.705758D+01 -0.583316D+01  0.394377D+01  0.754811D+01
      5  -0.114789D+02 -0.245435D+01 -0.121361D+02 -0.358424D+00 -0.272974D+01
      6  -0.324856D+01  0.136361D+00 -0.179655D+01 -0.234961D+00 -0.136966D+01
                 6             7             8             9            10 
      1  -0.135128D+01 -0.131770D+02 -0.360556D+01 -0.101980D+02 -0.392431D+00
      2   0.128233D+00  0.275437D+01 -0.277676D+01  0.161233D+02 -0.754299D+01
      3   0.122305D+01  0.104226D+02  0.638232D+01 -0.592525D+01  0.793542D+01
      4  -0.451229D+01 -0.882993D+01 -0.344019D+01 -0.831460D+01  0.126790D+02
      5  -0.349046D+00 -0.161669D+02 -0.491518D+01  0.162850D+02  0.580273D+01
      6   0.144863D+01 -0.541314D+01 -0.843534D+00  0.994914D+01 -0.108670D+01
                11            12            13            14            15 
      1  -0.166683D+01 -0.368420D+01 -0.511303D+00 -0.483412D+00  0.169421D+01
      2   0.914199D+01 -0.797898D+00  0.528052D+01 -0.135879D+02 -0.365926D+01
      3  -0.747516D+01  0.448209D+01 -0.476922D+01  0.140713D+02  0.196506D+01
      4  -0.159465D+02 -0.200249D+01 -0.245579D+02  0.190879D+02  0.891194D+01
      5  -0.143290D+01 -0.495294D+00 -0.513224D+01  0.515613D+01  0.405805D+01
      6   0.588007D+01  0.101791D+01  0.229813D+01 -0.117827D+02 -0.102547D+02
                16            17            18            19            20 
      1   0.510122D+01  0.121117D+00  0.379646D+01 -0.538676D+01  0.635892D+01
      2   0.154178D-01 -0.859986D+01 -0.852454D+01  0.262745D+01 -0.519289D+01
      3  -0.511664D+01  0.847874D+01  0.472808D+01  0.275931D+01 -0.116603D+01
      4  -0.934971D+01  0.158283D+02  0.565756D+01 -0.621296D+01  0.557712D+01
      5   0.357763D+01  0.158968D+01  0.755477D+01 -0.508322D+01  0.160987D+01
      6   0.604525D+00 -0.374735D+01 -0.457234D+01 -0.354160D+01  0.291152D+01
                21            22            23            24            25 
      1   0.481747D+01  0.945423D+01  0.122411D+02  0.514177D+01 -0.297220D-01
      2   0.605600D+01 -0.797313D+01 -0.170496D+02  0.912788D+01  0.376810D+01
      3  -0.108735D+02 -0.148110D+01  0.480851D+01 -0.142696D+02 -0.373838D+01
      4   0.376829D+00  0.526605D+01 -0.657666D+01  0.825091D+00  0.182854D+01
      5   0.284887D+01  0.296299D+01  0.273253D+01 -0.282818D+01  0.190736D+01
      6   0.906616D+00  0.370999D+01  0.120320D+02  0.300171D+00 -0.374476D+00
                26            27            28            29            30 
      1   0.493564D+01  0.112761D+02 -0.885640D-01 -0.598614D+01  0.439758D+01
      2   0.621984D+01  0.976215D+01  0.252175D+01 -0.138284D+00 -0.503667D+01
      3  -0.111555D+02 -0.210383D+02 -0.243318D+01  0.612443D+01  0.639086D+00
      4  -0.748736D+00 -0.302097D+01 -0.645018D+00 -0.187080D+01 -0.892446D+01
      5  -0.237633D+01 -0.859970D+01  0.802727D+01 -0.102845D+02 -0.152556D+02
      6   0.247355D+01  0.147686D+01 -0.377503D+01 -0.310540D+01  0.166444D+01
                31            32            33            34            35 
      1  -0.836884D+01  0.399366D+01 -0.118045D+02  0.698878D+00 -0.119684D+02
      2   0.164142D+01 -0.180884D+01  0.592288D+01 -0.522517D+01  0.695568D+01
      3   0.672742D+01 -0.218483D+01  0.588158D+01  0.452629D+01  0.501268D+01
      4  -0.575262D+01  0.584754D+01 -0.169528D+01 -0.922420D+01 -0.507388D+01
      5  -0.150634D+02 -0.256947D+01  0.571729D+01 -0.144003D+02  0.504825D+01
      6  -0.207743D+01 -0.156747D+01 -0.435407D+01  0.155689D+01 -0.268263D+01
                36            37            38            39            40 
      1  -0.108452D+02  0.207718D+02 -0.734636D+01 -0.278978D+01 -0.452048D+01
      2   0.803459D+01 -0.837836D+00 -0.658884D+01  0.176640D+01 -0.101903D+02
      3   0.281057D+01 -0.199340D+02  0.139352D+02  0.102338D+01  0.147108D+02
      4   0.392481D+01 -0.296762D+02  0.305149D+02  0.622395D+01  0.345670D+02
      5   0.192782D+02 -0.615453D+01  0.361765D+01  0.926021D+01  0.513422D+01
      6  -0.630663D+01  0.554886D+01 -0.397938D+01 -0.588688D+01 -0.491452D+01
                41            42            43            44            45 
      1  -0.126306D+02 -0.528719D+01 -0.155788D+01 -0.500299D+01 -0.644656D+01
      2   0.381207D+02  0.679277D+01  0.343524D+00  0.775823D+01  0.277812D+01
      3  -0.254901D+02 -0.150558D+01  0.121436D+01 -0.275523D+01  0.366843D+01
      4  -0.463485D+02 -0.100994D+02  0.104251D+02 -0.130087D+02 -0.143404D+02
      5  -0.643980D+01 -0.931676D+01  0.113802D+02 -0.116675D+02 -0.120167D+02
      6   0.154941D+02  0.174372D+02 -0.753871D+01  0.191299D+02  0.132290D+02
                46            47            48            49            50 
      1   0.922221D+01  0.280131D+01 -0.491896D+01  0.821484D-01 -0.168166D+01
      2  -0.875218D+01 -0.238867D+01  0.564659D+01  0.731382D+00 -0.228176D+00
      3  -0.470031D+00 -0.412645D+00 -0.727634D+00 -0.813531D+00  0.190984D+01
      4   0.559352D+01  0.441225D+01 -0.307488D+01  0.385139D+01  0.135220D+01
      5  -0.850867D+01 -0.161191D+01  0.113088D+02  0.102512D+00 -0.437028D+01
      6  -0.333752D+01 -0.144473D+01  0.251987D+01 -0.229780D+01 -0.230538D+01
                51            52            53            54            55 
      1   0.158005D+01 -0.615110D+01  0.249452D+01 -0.495144D+00  0.489686D+02
      2  -0.204118D+01  0.997215D+01 -0.263664D+00 -0.184743D+02 -0.271442D+02
      3   0.461125D+00 -0.382105D+01 -0.223086D+01  0.189695D+02 -0.218244D+02
      4  -0.460147D+01 -0.399547D+01 -0.622318D+01  0.747632D+01  0.213776D+02
      5   0.963418D+00  0.165281D+02  0.465930D+01 -0.287064D+02  0.157415D+02
      6   0.614172D+01  0.530215D+01  0.583785D+01 -0.126517D+02  0.344838D+01
                56            57            58            59            60 
      1   0.964216D+01  0.121567D+02  0.160765D+01  0.392259D+01  0.980497D+00
      2  -0.449217D+01 -0.731189D+01  0.115739D+01  0.580222D-01  0.474549D+00
      3  -0.514999D+01 -0.484478D+01 -0.276504D+01 -0.398062D+01 -0.145505D+01
      4   0.131557D+02  0.512024D+01  0.103209D+02  0.563468D+01  0.406866D+01
      5   0.278440D+01  0.114803D+02  0.151261D+01  0.429546D+01  0.148381D+01
      6   0.120895D+01  0.299239D+01  0.149239D+01  0.115658D+01  0.238005D+01
                61            62            63            64            65 
      1   0.178000D+02  0.311036D+01  0.954352D+01  0.828020D+00 -0.100482D+01
      2  -0.113967D+02 -0.115866D+00 -0.877398D+01 -0.535612D+01  0.375600D+00
      3  -0.640332D+01 -0.299449D+01 -0.769535D+00  0.452810D+01  0.629215D+00
      4   0.840704D+01  0.685269D+01  0.692260D+01 -0.756159D-01  0.103855D+01
      5   0.156406D+02  0.514394D+01  0.987037D+01  0.468975D+01  0.825178D+00
      6   0.451794D+01  0.311770D+01  0.199600D+01  0.291852D+00  0.892194D+00
                66            67            68            69            70 
      1  -0.466632D+01 -0.986266D+00 -0.444228D+01 -0.445222D+01 -0.229972D+01
      2  -0.481814D+01  0.840912D+00 -0.107480D+01 -0.575642D+01 -0.282316D+01
      3   0.948447D+01  0.145354D+00  0.551709D+01  0.102086D+02  0.512288D+01
      4  -0.646453D+00 -0.792516D+00  0.161951D+01  0.105847D+01 -0.170419D+01
      5   0.833238D+01  0.156462D+01  0.110896D+01  0.166282D+01  0.614946D+01
      6  -0.236549D+01  0.616909D+00  0.830985D+00  0.395562D+01 -0.830800D+00
                71            72            73            74            75 
      1  -0.172879D+01 -0.234783D+02  0.285463D+00 -0.151111D+01  0.699737D+00
      2  -0.356415D+01 -0.199349D+02  0.288542D+01  0.254554D+01 -0.518753D+00
      3   0.529294D+01  0.434132D+02 -0.317089D+01 -0.103443D+01 -0.180984D+00
      4   0.912044D+00  0.792854D+00  0.447705D+01  0.792812D+01 -0.191079D+01
      5   0.808659D+00  0.747601D+01 -0.223474D+01 -0.337165D+01  0.313139D+01
      6   0.452009D+01 -0.669807D+01 -0.272006D+01 -0.326568D+01  0.217923D+01
                76            77            78            79            80 
      1  -0.230273D+01 -0.209283D+02  0.738084D+01 -0.167412D+00  0.340194D+01
      2   0.424155D+01  0.307703D+02 -0.613187D+01 -0.937873D-01 -0.109536D+01
      3  -0.193881D+01 -0.984200D+01 -0.124897D+01  0.261199D+00 -0.230658D+01
      4   0.737620D+01  0.822967D+01 -0.211177D+01 -0.866278D+00 -0.125451D+01
      5  -0.243059D+01 -0.277052D+01  0.183094D+01  0.179416D+01  0.220625D+01
      6  -0.340491D+01 -0.198728D+02  0.110931D+02  0.177880D+01  0.863792D+01
                81            82            83            84            85 
      1  -0.589474D+01  0.148453D+02 -0.105577D+01 -0.823313D+01 -0.146185D+01
      2   0.196295D+01 -0.130530D+02  0.162711D+01  0.993424D+01  0.219948D+01
      3   0.393179D+01 -0.179229D+01 -0.571337D+00 -0.170111D+01 -0.737631D+00
      4   0.195639D+01 -0.400692D+01  0.590317D+01  0.507753D+01  0.638973D+01
      5  -0.840045D+00 -0.176403D+02  0.533614D+01  0.182537D+02  0.580543D+01
      6  -0.566326D+01  0.376309D+01 -0.154281D+01 -0.254802D+01 -0.320204D+01
                86            87            88            89            90 
      1  -0.454471D+00  0.120080D+01 -0.712566D+01  0.542162D+00  0.157385D+01
      2  -0.347468D+00 -0.254124D+01  0.110291D+02 -0.233580D+01 -0.163485D+02
      3   0.801938D+00  0.134044D+01 -0.390341D+01  0.179364D+01  0.147746D+02
      4  -0.524306D+01 -0.568251D+01  0.417905D+01 -0.460598D+01 -0.703994D+01
      5  -0.672542D+01 -0.697688D+01  0.191074D+02 -0.618794D+01 -0.286213D+02
      6   0.369359D+01  0.741948D+01 -0.402818D+01  0.534782D+01  0.646176D+01
                91            92            93            94            95 
      1  -0.166386D+02  0.915457D+01 -0.163073D+02  0.155834D+02 -0.969270D+01
      2   0.112014D+02 -0.122127D+02  0.101412D+02 -0.174209D+02 -0.722292D+00
      3   0.543720D+01  0.305812D+01  0.616612D+01  0.183750D+01  0.104150D+02
      4   0.793764D+01 -0.990358D+01  0.159578D+02 -0.122582D+02 -0.152628D+02
      5  -0.899484D+01  0.195528D+02  0.214722D+01  0.246788D+02  0.721003D+01
      6   0.469371D+01  0.671914D+01  0.720511D+01  0.705513D+01  0.534791D+01
                96            97            98            99           100 
      1   0.237298D+02 -0.132427D+02  0.223160D+02  0.108504D+02 -0.685855D+01
      2  -0.763697D+01  0.116316D+02 -0.571512D+01 -0.457485D+01  0.214639D+01
      3  -0.160928D+02  0.161108D+01 -0.166009D+02 -0.627553D+01  0.471216D+01
      4   0.110336D+02  0.202062D+02  0.133900D+02 -0.265469D+01 -0.392631D+01
      5  -0.215126D+01  0.509545D+00 -0.338455D+01 -0.665525D+01  0.110073D+00
      6  -0.439245D+01  0.669454D+01 -0.487491D+01 -0.481251D+01  0.275180D+01
               101           102           103           104           105 
      1   0.347162D+01  0.996712D+01  0.243123D+01 -0.682021D+01 -0.949725D+01
      2  -0.220020D+01 -0.239052D+01 -0.489259D+00  0.589825D+01  0.408531D+01
      3  -0.127143D+01 -0.757660D+01 -0.194197D+01  0.921957D+00  0.541195D+01
      4  -0.309895D+00 -0.127812D+01  0.332082D+01  0.643004D+01  0.288221D+01
      5  -0.289042D+01 -0.291063D+01 -0.177356D+01  0.349949D+01  0.531519D+01
      6  -0.430910D+01 -0.557161D+01 -0.210944D+01  0.713978D+01  0.951975D+01
               106           107           108           109           110 
      1   0.101821D+02 -0.954943D+01 -0.174742D+02  0.509135D+02 -0.120621D+02
      2  -0.403617D+01  0.368670D+01 -0.115681D+01 -0.309037D+02  0.874010D+01
      3  -0.614591D+01  0.586273D+01  0.186310D+02 -0.200098D+02  0.332203D+01
      4   0.851188D+00  0.404401D+01  0.427385D+01 -0.670034D+01  0.110573D+02
      5   0.251317D+01  0.616570D+01  0.153960D+02  0.212726D+02 -0.659276D+01
      6  -0.260093D+01  0.995077D+01  0.154197D+02 -0.104229D+01  0.175275D+01
               111           112           113           114           115 
      1   0.146166D+02 -0.222741D+02  0.106727D+02 -0.755883D+01  0.148359D+02
      2  -0.117288D+02  0.146333D+02 -0.576455D+01  0.583091D+01 -0.123430D+02
      3  -0.288781D+01  0.764076D+01 -0.490815D+01  0.172793D+01 -0.249290D+01
      4  -0.340655D+01  0.115047D+02 -0.104855D+02  0.318399D+01 -0.365221D+01
      5   0.140602D+02 -0.113724D+02  0.517086D+01 -0.788043D+01  0.160734D+02
      6  -0.607856D+00  0.208366D+01 -0.374617D+01  0.240356D+01 -0.820582D+00
               116           117           118           119           120 
      1  -0.502348D+01  0.820625D+01  0.181138D+02  0.962537D+01 -0.291703D+01
      2   0.389139D+01 -0.921972D+01 -0.481168D+01  0.140786D+01 -0.195503D+00
      3   0.113209D+01  0.101348D+01 -0.133021D+02 -0.110332D+02  0.311254D+01
      4   0.222476D+01 -0.243090D+01  0.174815D+02  0.186507D+02 -0.677806D+01
      5  -0.450450D+01  0.131836D+02 -0.388925D+01 -0.571900D+01  0.573561D+01
      6   0.293291D+01  0.321372D+00 -0.244226D+01 -0.158428D+01  0.165618D+01
               121           122           123           124           125 
      1   0.106059D+02  0.521922D+01 -0.342597D+01 -0.766279D+01 -0.431640D+01
      2   0.329717D+01  0.147899D+02 -0.303052D+01  0.131648D+01 -0.346849D+01
      3  -0.139031D+02 -0.200091D+02  0.645649D+01  0.634630D+01  0.778490D+01
      4   0.239603D+02  0.347096D+02 -0.934502D+01 -0.114970D+02 -0.140245D+02
      5  -0.600839D+01 -0.808371D+01  0.829158D+01  0.719479D+01  0.908298D+01
      6  -0.231167D+01 -0.415770D+01  0.661999D+01  0.292724D+01  0.690474D+01
               126           127           128           129           130 
      1   0.887598D+00 -0.239904D+01  0.966460D+01 -0.327886D+00  0.112399D+02
      2   0.134607D+01  0.592747D+01 -0.147803D+02  0.308414D+01 -0.164117D+02
      3  -0.223366D+01 -0.352843D+01  0.511566D+01 -0.275626D+01  0.517186D+01
      4   0.915206D+01  0.394169D+01  0.711349D+00  0.522913D+01  0.105640D+01
      5  -0.973698D+01  0.219849D+01  0.119425D+01 -0.148102D+00 -0.571803D+00
      6  -0.581413D+01  0.629544D+01  0.377754D+01 -0.979110D-01  0.446556D+01
               131           132           133           134           135 
      1   0.147127D+02 -0.489963D+01 -0.223659D+00 -0.420365D+01  0.149064D+02
      2  -0.285420D+02  0.116632D+02  0.341987D+01  0.164063D+02 -0.956834D+01
      3   0.138293D+02 -0.676354D+01 -0.319621D+01 -0.122026D+02 -0.533808D+01
      4  -0.171876D+02  0.570797D+01  0.495914D+01  0.664170D+01 -0.261561D+01
      5   0.409609D+01 -0.915972D+00  0.555312D+00 -0.282388D+01 -0.635482D+01
      6   0.140339D+02 -0.775248D+01 -0.822981D+00 -0.130410D+02 -0.255510D+02
               136           137           138           139           140 
      1   0.237887D+01 -0.684943D+00  0.128769D+01 -0.274779D+01 -0.828378D+01
      2  -0.121979D+02  0.118172D+02 -0.276944D+01  0.135165D+02 -0.491400D+00
      3   0.981902D+01 -0.111323D+02  0.148175D+01 -0.107687D+02  0.877518D+01
      4   0.108359D+02 -0.208218D+02 -0.100073D+01 -0.190018D+02  0.134970D+02
      5   0.139091D+01  0.290289D+01  0.202611D+01  0.343105D+01 -0.223793D+00
      6  -0.331727D+01 -0.265610D+01 -0.128779D+01 -0.258454D+01 -0.404663D+01
               141           142           143           144           145 
      1   0.535268D+01  0.152368D+01  0.429949D+01  0.731744D+01 -0.114359D+01
      2  -0.183343D+01 -0.595968D+00 -0.564621D+01  0.110536D+02  0.728088D+01
      3  -0.351925D+01 -0.927707D+00  0.134672D+01 -0.183711D+02 -0.613729D+01
      4  -0.888936D+00 -0.860208D+00  0.265529D+01  0.999073D-01  0.855902D+01
      5  -0.255160D+01  0.220344D+01 -0.141119D+01 -0.895285D+01 -0.172705D+01
      6   0.496753D+01  0.219695D-01  0.378236D+01  0.158049D+02 -0.428427D+01
               146           147           148           149           150 
      1  -0.337892D+01  0.847766D-01 -0.487659D+01 -0.324915D+02  0.607506D+01
      2   0.104917D+02 -0.146680D+01  0.122979D+02  0.610146D+02 -0.108903D+02
      3  -0.711276D+01  0.138202D+01 -0.742129D+01 -0.285231D+02  0.481519D+01
      4   0.143125D+02 -0.375467D+01  0.123964D+02  0.236321D+02 -0.430417D+01
      5  -0.190846D+01  0.256186D+01 -0.162027D+01 -0.306558D+01  0.266626D+01
      6  -0.275226D+01  0.208039D+01 -0.290417D+01 -0.142685D+02  0.104063D+02
               151           152           153           154           155 
      1   0.101571D+01  0.101226D+02 -0.771679D+01 -0.496676D-01 -0.123885D+00
      2  -0.301475D+01 -0.168987D+02  0.880786D+01 -0.213338D+01  0.885226D+00
      3   0.199904D+01  0.677608D+01 -0.109107D+01  0.218305D+01 -0.761341D+00
      4  -0.525190D+01 -0.709063D+01  0.455215D+01 -0.531546D+00  0.321693D+01
      5   0.260484D+01  0.384792D+01 -0.180241D+01  0.114454D+01  0.161125D+01
      6   0.333699D+01  0.145770D+02 -0.623711D+01  0.421148D+01 -0.794319D+00
               156           157           158           159           160 
      1   0.160427D+01 -0.148628D+01 -0.774389D+01 -0.558749D+01  0.133346D+01
      2  -0.141877D+01  0.227276D+01  0.906263D+01  0.452974D+01 -0.112046D+01
      3  -0.185494D+00 -0.786484D+00 -0.131874D+01  0.105774D+01 -0.213000D+00
      4   0.406663D+01  0.202370D+01  0.306582D+01  0.120181D+01  0.517164D+01
      5   0.574876D+01  0.847907D+00  0.126693D+01  0.116783D+01  0.432344D+01
      6  -0.567910D+00  0.131335D+00  0.721288D+01  0.102217D+02  0.193559D+01
               161           162           163           164           165 
      1  -0.952730D+01 -0.193990D+02 -0.151286D+01 -0.375079D+00  0.185138D+01
      2   0.661652D+01  0.557760D+00 -0.836079D+00 -0.103550D+01 -0.837933D-02
      3   0.291079D+01  0.188412D+02  0.234893D+01  0.141058D+01 -0.184300D+01
      4   0.213882D+01  0.343308D+01 -0.285651D+00  0.382661D+01 -0.152403D+01
      5   0.320141D+01  0.871174D+01  0.106701D+01 -0.164272D+00  0.500248D+01
      6   0.166025D+02  0.339539D+02 -0.151472D+01  0.270486D+00  0.170597D+01
               166           167           168           169           170 
      1   0.109747D+01 -0.505244D+00 -0.622927D-01  0.184740D+01  0.348113D+01
      2  -0.268699D+01 -0.144584D+01 -0.378963D+01 -0.258979D+01 -0.356393D+01
      3   0.158952D+01  0.195108D+01  0.385193D+01  0.742391D+00  0.827984D-01
      4   0.316485D+01 -0.978705D+00  0.145857D+01 -0.256405D+01  0.234009D+01
      5   0.238793D+00  0.125920D+01  0.243050D+01  0.524307D+01 -0.573712D+00
      6   0.290459D+00 -0.126016D+01  0.292241D+01 -0.163633D+01  0.513795D+01
               171           172           173           174           175 
      1  -0.148028D+02  0.106087D+02 -0.197022D+01 -0.321413D+00  0.287824D-01
      2  -0.152942D+02  0.508700D+01 -0.109698D+02  0.547221D+00 -0.118276D+02
      3   0.300970D+02 -0.156957D+02  0.129400D+02 -0.225808D+00  0.117988D+02
      4  -0.244177D+01 -0.273141D+02  0.252434D+02 -0.108935D+01  0.238601D+02
      5   0.120480D+02  0.242596D+01 -0.217584D+01  0.412980D+01 -0.194780D+01
      6  -0.185322D+02 -0.694333D+00  0.188505D+01 -0.319809D+01  0.205736D+01
               176           177           178           179           180 
      1  -0.674467D+01  0.238656D+00 -0.147370D+01 -0.451276D+00 -0.166203D+01
      2   0.257548D+02 -0.140129D+00  0.215402D+00  0.195705D+01  0.138910D+01
      3  -0.190101D+02 -0.985277D-01  0.125830D+01 -0.150577D+01  0.272936D+00
      4  -0.284935D+02  0.106797D+01  0.176720D+01 -0.155741D+01 -0.538274D+01
      5   0.118265D+01 -0.261755D+01  0.390053D+01 -0.383140D+01  0.642283D+00
      6  -0.173609D+01  0.459839D+01 -0.453258D+01  0.587481D+01 -0.945262D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.130127D+01      0.330751D+01      0.110327D+02
   x         -0.635029D+00     -0.161408D+01     -0.538400D+01
   y          0.103621D+01      0.263379D+01      0.878537D+01
   z          0.465101D+00      0.118217D+01      0.394329D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.815558D+02      0.120853D+02      0.134467D+02
   aniso      0.149854D+02      0.222061D+01      0.247076D+01
   xx         0.871451D+02      0.129136D+02      0.143683D+02
   yx         0.737019D+00      0.109215D+00      0.121518D+00
   yy         0.856738D+02      0.126956D+02      0.141257D+02
   zx        -0.169420D+01     -0.251055D+00     -0.279336D+00
   zy         0.474104D+00      0.702549D-01      0.781691D-01
   zz         0.718484D+02      0.106468D+02      0.118462D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.851199D+02      0.126135D+02      0.140344D+02
   aniso      0.154822D+02      0.229423D+01      0.255267D+01
   xx         0.906392D+02      0.134313D+02      0.149444D+02
   yx         0.779138D-01      0.115456D-01      0.128463D-01
   yy         0.896384D+02      0.132830D+02      0.147794D+02
   zx        -0.184056D+01     -0.272742D+00     -0.303467D+00
   zy         0.828396D+00      0.122756D+00      0.136584D+00
   zz         0.750820D+02      0.111260D+02      0.123793D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.68190103          1.88501620         -0.55401912
     6          1.37098683         -0.18686918         -2.05747469
     6          0.25122016         -2.28063798         -0.47487676
     6         -1.63922935         -1.27838855          1.53051943
     8          1.25092154         -0.13710179         -4.33914099
     1          2.18241002          3.68354961         -1.43514127
     1          4.71897195          1.65056613         -0.82270585
     1          1.83495988         -3.19691212          0.49271277
     1         -0.62332898         -3.67573582         -1.70938844
     1         -1.56407535         -2.58405779          3.13002879
     6         -4.33594566         -1.27066845          0.50429118
     1         -4.46874226         -0.09896820         -1.19123260
     1         -5.65351164         -0.51319252          1.90091934
     1         -4.95652611         -3.17401542          0.00748489
     6          1.95595982          1.85488962          2.24875860
     6         -0.87976723          1.37005223          2.49220987
     1          2.47142246          3.64706536          3.12965759
     1          3.00940734          0.38761082          3.25452885
     1         -1.87598856          2.80397015          1.37873022
     1         -1.51312664          1.60657425          4.44109295

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.130127D+01      0.330751D+01      0.110327D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.130127D+01      0.330751D+01      0.110327D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.815558D+02      0.120853D+02      0.134467D+02
   aniso      0.149854D+02      0.222061D+01      0.247076D+01
   xx         0.824986D+02      0.122250D+02      0.136022D+02
   yx         0.699503D+01      0.103656D+01      0.115332D+01
   yy         0.776227D+02      0.115025D+02      0.127982D+02
   zx        -0.248562D+01     -0.368331D+00     -0.409823D+00
   zy         0.266368D+01      0.394716D+00      0.439181D+00
   zz         0.845461D+02      0.125284D+02      0.139398D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.851199D+02      0.126135D+02      0.140344D+02
   aniso      0.154822D+02      0.229423D+01      0.255267D+01
   xx         0.856392D+02      0.126904D+02      0.141200D+02
   yx         0.691144D+01      0.102417D+01      0.113954D+01
   yy         0.806501D+02      0.119511D+02      0.132974D+02
   zx        -0.259884D+01     -0.385108D+00     -0.428491D+00
   zy         0.272957D+01      0.404481D+00      0.450046D+00
   zz         0.890702D+02      0.131988D+02      0.146857D+02

 ----------------------------------------------------------------------
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 Everywhere is walking distance if you have the time.
                                    -- Steven Wright
 Job cpu time:       0 days  3 hours 37 minutes 42.9 seconds.
 Elapsed time:       0 days  0 hours 13 minutes 38.6 seconds.
 File lengths (MBytes):  RWF=    223 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 23 14:41:57 2021.
